data_2dk5_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 2dk5 _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 ' 21' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.748 0.309 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -72.21 -16.17 61.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.4 pttp -87.16 -33.97 19.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.905 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 47.5 tp -72.45 -35.73 68.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 40.4 t -72.13 -50.28 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.555 ' CE1' ' HB3' ' A' ' 65' ' ' LEU . 57.0 t80 -53.13 -36.8 61.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -67.01 -35.72 80.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.465 ' CD1' ' HB3' ' A' ' 45' ' ' LYS . 49.0 mt -71.73 -29.15 33.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.141 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.424 ' CD1' HD13 ' A' ' 66' ' ' ILE . 84.3 mt -71.6 -47.07 59.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.132 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.428 ' HG3' ' N ' ' A' ' 31' ' ' ASP . 3.4 pt-20 -63.53 -29.46 70.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.917 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.428 ' N ' ' HG3' ' A' ' 30' ' ' GLU . 4.4 t0 -65.33 -36.79 85.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.68 -38.98 67.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.113 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.65 -167.31 36.77 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.49 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -49.0 -45.23 42.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.917 0.389 . . . . 0.0 110.892 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 27.5 mttp -47.68 -39.87 18.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 92.57 -171.2 33.16 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.48 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.4 tt -145.93 153.63 13.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.785 0.326 . . . . 0.0 111.134 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.551 ' CE3' ' HB2' ' A' ' 40' ' ' ARG . 2.2 t90 -89.31 135.91 33.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.6 t -41.73 -37.85 1.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.857 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.551 ' HB2' ' CE3' ' A' ' 38' ' ' TRP . 7.5 mpt_? -68.43 -60.45 2.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -38.73 -26.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.495 ' N ' ' O ' ' A' ' 40' ' ' ARG . 46.9 t -76.01 -52.95 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 42' ' ' VAL . 30.1 mtp180 -34.71 -45.02 0.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -70.34 -54.2 13.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.951 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.465 ' HB3' ' CD1' ' A' ' 28' ' ' ILE . 57.5 mmtt -58.06 -61.87 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.882 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.5 p -61.66 -10.5 8.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.833 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 51.4 t30 51.4 33.29 9.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.4 HD11 ' CD1' ' A' ' 56' ' ' ILE . 41.3 mt -119.1 155.48 53.24 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.635 0.731 . . . . 0.0 110.945 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 155.23 66.65 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.683 2.256 . . . . 0.0 112.388 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.456 HD23 ' ND2' ' A' ' 54' ' ' ASN . 3.1 tm? -46.22 -51.15 14.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.4 t -51.92 -26.27 9.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.17 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -86.91 -41.44 13.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.465 ' N ' HD13 ' A' ' 53' ' ' ILE . 1.7 mp -65.72 -31.88 55.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.174 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.456 ' ND2' HD23 ' A' ' 50' ' ' LEU . 1.1 m-80 -69.39 -52.72 24.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.928 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.466 ' HG3' ' N ' ' A' ' 56' ' ' ILE . 16.0 ptpt -65.73 -39.93 91.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.466 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 23.0 mt -67.25 -55.63 16.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.161 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.443 HD13 ' CE1' ' A' ' 80' ' ' TYR . 28.5 mt -49.88 -40.07 41.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 59' ' ' ASN . 6.3 tptp -73.02 -59.89 2.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.888 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 58' ' ' LYS . 15.1 m-80 -35.02 -53.78 0.58 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 86.7 mt -53.96 -47.29 71.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.925 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 58' ' ' LYS . 76.7 mt-10 -55.02 -15.79 2.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t -91.34 -27.43 18.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.5 mttm -87.5 14.02 9.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 53.4 mttt 57.41 30.56 18.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.555 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 35.0 mt -95.13 -40.35 9.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.424 HD13 ' CD1' ' A' ' 29' ' ' ILE . 31.7 pt -138.55 176.24 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.084 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.3 pttt -148.83 164.1 35.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -96.9 120.89 38.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.093 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 94.9 t . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.137 179.949 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 5.9 t . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.833 0.349 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.443 ' CE1' HD13 ' A' ' 57' ' ' LEU . 90.5 m-85 -124.42 122.83 38.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.983 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.407 ' O ' ' C ' ' A' ' 82' ' ' LEU . 12.6 ptp -135.93 157.17 47.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 81' ' ' MET . 25.0 mt -37.5 149.86 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -83.47 -25.01 31.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 34.0 m120 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.937 179.952 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.743 0.306 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -61.17 -17.12 51.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.444 ' HG2' ' N ' ' A' ' 24' ' ' LEU . 6.6 pttp -82.79 -34.45 27.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.444 ' N ' ' HG2' ' A' ' 23' ' ' LYS . 38.5 tp -76.6 -26.66 55.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.958 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.4 HG23 ' CB ' ' A' ' 46' ' ' SER . 60.1 t -82.93 -32.41 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.163 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.406 ' CE1' ' HB3' ' A' ' 65' ' ' LEU . 37.6 t80 -70.88 -30.64 67.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.937 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -72.56 -24.43 61.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.972 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.469 HD13 ' N ' ' A' ' 46' ' ' SER . 29.9 mt -79.38 -42.56 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.089 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 42.7 mt -60.24 -42.2 89.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.136 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -68.95 -28.43 66.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -69.69 -33.69 72.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.95 -36.83 75.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.096 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.74 -165.45 42.16 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.497 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -47.64 -49.83 26.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.895 0.379 . . . . 0.0 110.942 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.5 mtpp -47.3 -31.4 3.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.4 -167.75 50.93 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.472 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.463 ' CD1' HG21 ' A' ' 42' ' ' VAL . 17.3 tt -146.88 147.96 17.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.826 0.346 . . . . 0.0 111.109 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.451 ' O ' ' C ' ' A' ' 39' ' ' SER . 3.6 t90 -79.76 127.27 32.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.945 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.453 ' HB3' ' CD1' ' A' ' 57' ' ' LEU . 0.7 OUTLIER -34.5 -38.79 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 -179.785 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.426 ' O ' ' CE1' ' A' ' 44' ' ' TYR . 44.2 mtp180 -73.03 -49.54 28.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.864 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 38' ' ' TRP . 1.9 m-20 -45.14 -22.92 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.463 HG21 ' CD1' ' A' ' 37' ' ' ILE . 96.2 t -79.51 -47.28 22.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.4 mtm180 -37.67 -39.84 0.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.426 ' CE1' ' O ' ' A' ' 40' ' ' ARG . 1.1 m-85 -74.93 -58.47 3.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.969 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.69 -58.97 5.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.861 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.469 ' N ' HD13 ' A' ' 28' ' ' ILE . 64.6 p -63.89 -20.17 65.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 61.58 29.48 18.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 74.4 mt -114.63 154.06 46.72 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.66 0.743 . . . . 0.0 110.906 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 156.0 64.6 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.681 2.254 . . . . 0.0 112.405 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.473 ' CD1' ' C ' ' A' ' 50' ' ' LEU . 1.4 tm? -45.19 -51.87 10.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.933 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.8 t -50.97 -27.95 8.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.132 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -85.57 -41.18 15.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.43 ' CG2' HD12 ' A' ' 57' ' ' LEU . 1.7 mp -67.81 -30.73 49.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.469 ' ND2' HD12 ' A' ' 50' ' ' LEU . 12.3 m-20 -71.66 -49.36 40.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -69.46 -37.37 77.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 49.1 mt -70.1 -52.98 25.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.145 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.555 HD13 ' CD2' ' A' ' 80' ' ' TYR . 15.4 mt -51.56 -44.82 62.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 61' ' ' GLU . 0.4 OUTLIER -68.52 -60.88 2.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 179.845 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 58' ' ' LYS . 27.7 m-20 -35.1 -47.9 0.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 84.7 mt -59.28 -46.4 88.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.959 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 58' ' ' LYS . 26.6 mt-10 -55.84 -14.67 2.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 t -93.71 -26.2 17.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.6 mttm -90.2 15.9 9.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.878 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 52.8 mttt 54.73 33.22 19.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.42 ' C ' HG21 ' A' ' 66' ' ' ILE . 39.4 mt -97.98 -41.28 8.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.42 HG21 ' C ' ' A' ' 65' ' ' LEU . 19.1 pt -135.72 178.2 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.162 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 36.2 pttt -155.36 162.93 40.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -95.55 128.12 42.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.102 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 75.8 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.133 179.997 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 24.1 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.833 0.349 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.555 ' CD2' HD13 ' A' ' 57' ' ' LEU . 78.8 m-85 -111.36 127.88 55.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 15.0 ptp -139.0 -178.75 5.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.887 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 16.6 mt -61.48 138.0 58.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.921 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -72.44 -17.92 61.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.931 179.973 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.797 0.332 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -70.46 -22.11 62.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.854 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.1 mttm -82.02 -40.39 22.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 58.5 tp -66.01 -30.78 71.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 38.4 t -80.07 -38.92 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.097 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -65.75 -28.13 68.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -75.5 -28.45 59.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.866 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 43.8 mt -76.24 -42.73 37.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.1 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.419 ' CG2' ' O ' ' A' ' 80' ' ' TYR . 72.7 mt -61.21 -47.29 94.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.474 ' C ' ' CD ' ' A' ' 30' ' ' GLU . 0.5 OUTLIER -61.56 -29.49 70.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -69.5 -34.65 74.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.841 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.88 -32.76 63.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.106 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.73 -174.65 44.74 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.524 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.411 ' O ' ' CE ' ' A' ' 81' ' ' MET . 5.5 p30 -47.71 -36.47 11.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.849 0.357 . . . . 0.0 110.891 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 36.7 mttm -53.48 -41.44 66.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.408 ' HA3' ' CG1' ' A' ' 79' ' ' VAL . . . 96.64 -169.83 26.2 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.495 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.8 tt -147.21 151.03 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.855 0.36 . . . . 0.0 111.104 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.568 ' CZ3' ' HD3' ' A' ' 40' ' ' ARG . 3.7 t90 -87.57 130.5 34.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.962 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 38' ' ' TRP . 1.4 t -34.57 -39.01 0.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.852 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.568 ' HD3' ' CZ3' ' A' ' 38' ' ' TRP . 31.4 mtp180 -64.31 -65.11 0.72 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 40' ' ' ARG . 0.9 OUTLIER -36.75 -29.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.5 ' N ' ' O ' ' A' ' 40' ' ' ARG . 96.3 t -71.54 -54.58 16.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.133 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.427 HH22 ' NE ' ' A' ' 40' ' ' ARG . 41.6 mtm-85 -35.73 -44.75 0.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -70.95 -57.9 4.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.96 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 42.9 mmtt -54.0 -61.28 2.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.91 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 58.5 p -62.41 -15.6 50.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 59.5 t30 56.24 27.69 12.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.418 ' HB3' ' CB ' ' A' ' 52' ' ' GLU . 63.7 mt -111.01 156.13 41.37 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.633 0.73 . . . . 0.0 110.936 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 161.27 46.57 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.682 2.255 . . . . 0.0 112.372 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.444 HD12 ' ND2' ' A' ' 54' ' ' ASN . 3.0 tm? -49.17 -51.07 34.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.901 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.5 t -54.45 -24.26 19.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.465 ' O ' ' CD1' ' A' ' 56' ' ' ILE . 37.0 mm-40 -86.48 -42.38 13.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.418 HD13 ' N ' ' A' ' 53' ' ' ILE . 1.7 mp -68.23 -32.26 55.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.169 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.444 ' ND2' HD12 ' A' ' 50' ' ' LEU . 1.2 m-80 -70.92 -51.43 26.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.0 ptmm? -64.94 -43.26 93.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.465 ' CD1' ' O ' ' A' ' 52' ' ' GLU . 34.7 mt -65.32 -57.9 9.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.134 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.5 HD13 ' CE1' ' A' ' 80' ' ' TYR . 22.2 mt -46.43 -33.32 3.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 61' ' ' GLU . 29.7 tttt -77.72 -59.23 2.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.832 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 58' ' ' LYS . 1.7 m-80 -36.85 -51.5 0.9 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.909 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.467 HD21 ' CD1' ' A' ' 65' ' ' LEU . 66.2 mt -61.13 -37.64 83.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.966 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 58' ' ' LYS . 34.3 mt-10 -66.01 -20.92 66.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.7 t -96.08 -29.73 13.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.901 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.5 mtpp -83.47 18.59 1.8 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.889 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 26.5 mttp 54.96 31.78 16.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.894 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.467 ' CD1' HD21 ' A' ' 60' ' ' LEU . 47.0 mt -99.44 -31.59 11.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.443 HG12 ' CB ' ' A' ' 60' ' ' LEU . 20.7 pt -147.08 -177.47 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.138 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.435 ' HE3' ' CG2' ' A' ' 69' ' ' VAL . 34.2 pttt -159.17 164.59 35.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -95.95 124.81 40.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.098 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.435 ' CG2' ' HE3' ' A' ' 67' ' ' LYS . 40.7 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.408 ' CG1' ' HA3' ' A' ' 36' ' ' GLY . 19.6 t . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.85 0.357 . . . . 0.0 111.112 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.5 ' CE1' HD13 ' A' ' 57' ' ' LEU . 97.0 m-85 -117.62 116.24 26.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.926 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.411 ' CE ' ' O ' ' A' ' 34' ' ' ASN . 14.9 ptp -127.13 176.24 7.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.839 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 12.4 mt -56.6 142.53 39.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -77.59 -32.58 53.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.858 -179.984 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.776 0.322 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -56.77 -24.59 51.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 50.8 mttt -82.14 -52.22 7.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 39.3 tp -52.94 -36.42 59.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 91.4 t -74.42 -53.34 17.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.115 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -53.38 -35.5 60.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -68.75 -22.52 64.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 44.8 mt -86.3 -35.46 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 55.2 mt -64.2 -48.35 86.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.134 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.69 -26.73 68.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.902 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -67.61 -36.93 81.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.86 -37.56 63.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.51 -159.56 23.25 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.482 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.03 -41.03 97.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.836 0.351 . . . . 0.0 110.837 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp -47.23 -49.65 22.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 110.12 -171.52 14.93 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.438 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.0 tt -150.08 147.24 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.808 0.337 . . . . 0.0 111.111 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.492 ' CE3' ' HD2' ' A' ' 40' ' ' ARG . 4.9 t90 -87.09 134.29 33.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 57.6 p -38.69 -38.43 0.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.86 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.492 ' HD2' ' CE3' ' A' ' 38' ' ' TRP . 47.0 mtt-85 -65.44 -55.47 17.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -38.77 -33.76 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.436 ' O ' ' C ' ' A' ' 43' ' ' ARG . 43.4 t -67.94 -55.63 15.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 42' ' ' VAL . 18.5 mtp180 -34.11 -47.61 0.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -69.99 -60.97 1.97 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -54.07 -63.17 1.24 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.893 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 77.7 p -57.58 -27.75 62.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 31.8 t-20 68.25 29.0 6.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 33.6 mt -115.21 157.43 43.73 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.627 0.727 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 155.6 65.55 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.7 2.267 . . . . 0.0 112.338 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.484 ' CD1' ' ND2' ' A' ' 54' ' ' ASN . 1.7 tm? -48.43 -45.85 36.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.945 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.4 t -56.55 -24.4 46.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.133 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -87.98 -45.54 10.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.472 ' CG2' HD13 ' A' ' 57' ' ' LEU . 1.8 mp -63.78 -35.03 71.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.126 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.484 ' ND2' ' CD1' ' A' ' 50' ' ' LEU . 15.0 m-20 -67.21 -52.67 38.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.445 ' HG3' ' N ' ' A' ' 56' ' ' ILE . 7.2 pttp -66.7 -34.75 78.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.445 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 48.5 mt -71.99 -54.23 17.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.092 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.569 ' CD1' ' CE2' ' A' ' 80' ' ' TYR . 17.8 mt -49.61 -45.05 47.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 59' ' ' ASN . 4.3 tptm -67.96 -59.12 3.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.966 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 58' ' ' LYS . 26.5 m-20 -35.25 -54.88 0.63 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.424 ' CB ' HG12 ' A' ' 66' ' ' ILE . 33.5 mt -54.35 -49.04 70.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.486 ' OE2' ' N ' ' A' ' 68' ' ' ALA . 36.3 mt-10 -52.38 -21.51 3.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.5 t -92.39 -26.71 17.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -85.79 14.18 6.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp 57.22 38.73 28.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.951 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 36.1 mt -108.41 -35.29 6.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.424 HG12 ' CB ' ' A' ' 60' ' ' LEU . 19.1 pt -140.91 176.2 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.136 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 46.7 pttt -155.71 155.37 33.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.486 ' N ' ' OE2' ' A' ' 61' ' ' GLU . . . -85.59 132.68 34.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.051 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 53.9 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.088 179.998 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 25.3 t . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.826 0.346 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.569 ' CE2' ' CD1' ' A' ' 57' ' ' LEU . 94.5 m-85 -118.43 150.95 38.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.963 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 8.3 ptp -161.18 175.77 11.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.3 mt -59.52 139.15 57.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -73.75 -33.18 64.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.856 -179.949 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.77 0.319 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -66.72 -19.83 65.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.9 mtpp -82.5 -57.97 3.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 38.7 tp -47.6 -34.22 7.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.2 t -75.13 -42.51 44.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.146 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.44 ' CE1' ' HB3' ' A' ' 65' ' ' LEU . 60.8 t80 -62.68 -34.03 76.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -70.89 -25.17 62.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.456 HD13 ' CB ' ' A' ' 45' ' ' LYS . 22.8 mt -82.58 -28.78 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.133 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 91.6 mt -72.57 -47.41 51.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.115 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -65.34 -23.83 67.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -69.2 -37.41 78.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.841 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.75 -36.82 72.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.083 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.36 -165.53 37.42 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.478 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -51.19 -42.27 60.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.916 0.389 . . . . 0.0 110.883 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.3 ptpt -51.24 -19.95 1.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.882 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.47 -177.12 37.37 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.51 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.417 HG12 ' N ' ' A' ' 38' ' ' TRP . 13.5 tt -141.05 154.77 21.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.779 0.323 . . . . 0.0 111.154 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.444 ' O ' ' N ' ' A' ' 40' ' ' ARG . 6.2 t90 -89.06 125.78 35.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 38' ' ' TRP . 1.5 t -35.38 -34.56 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 38' ' ' TRP . 15.4 mtp85 -67.53 -58.61 4.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -38.35 -31.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.447 ' O ' ' C ' ' A' ' 43' ' ' ARG . 21.6 t -69.55 -53.9 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.469 ' HB3' ' CZ ' ' A' ' 43' ' ' ARG . 7.1 mtp-105 -34.7 -45.45 0.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -72.58 -55.18 7.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.456 ' CB ' HD13 ' A' ' 28' ' ' ILE . 57.3 mmtt -57.11 -62.9 1.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.875 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 78.8 p -62.38 -9.52 8.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.843 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 27.4 m-20 50.06 34.97 9.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.8 mt -118.3 156.53 50.71 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.655 0.74 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 156.73 62.47 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.687 2.258 . . . . 0.0 112.324 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.448 HD13 ' ND2' ' A' ' 54' ' ' ASN . 3.5 tm? -48.16 -47.35 35.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.859 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.1 t -56.33 -23.86 39.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.177 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.445 ' O ' ' CD1' ' A' ' 56' ' ' ILE . 36.8 mm-40 -87.42 -39.63 15.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.407 HD12 ' N ' ' A' ' 53' ' ' ILE . 1.7 mp -70.55 -31.23 45.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.187 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.448 ' ND2' HD13 ' A' ' 50' ' ' LEU . 1.2 m-80 -72.88 -47.86 42.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.881 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.89 -35.97 72.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.445 ' CD1' ' O ' ' A' ' 52' ' ' GLU . 44.3 mt -72.01 -54.07 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.128 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.56 HD13 ' CE1' ' A' ' 80' ' ' TYR . 21.3 mt -50.22 -41.99 50.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.479 ' O ' ' N ' ' A' ' 61' ' ' GLU . 30.9 tttp -66.78 -62.78 1.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 58' ' ' LYS . 2.3 m-80 -35.05 -49.61 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.898 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 48.4 mt -59.15 -43.97 92.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.502 ' OE2' ' CE2' ' A' ' 80' ' ' TYR . 17.3 mt-10 -61.86 -15.37 41.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.8 t -96.41 -26.64 15.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.1 mttm -85.92 5.17 34.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm 69.19 25.55 5.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.44 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 18.9 mt -92.27 -31.69 15.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.93 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 35.0 pt -148.2 -177.87 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.7 pttp -153.43 165.36 36.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -98.8 124.77 43.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 30.9 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.172 179.936 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.432 HG11 ' N ' ' A' ' 80' ' ' TYR . 5.7 t . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.811 0.338 . . . . 0.0 111.158 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.56 ' CE1' HD13 ' A' ' 57' ' ' LEU . 81.8 m-85 -124.34 146.47 48.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 10.9 ptp -158.61 172.65 17.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.833 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 29.9 mt -54.9 135.16 48.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -62.28 -40.55 96.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 66.3 m-20 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.993 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.769 0.318 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -54.38 -15.73 1.82 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.7 pttp -91.78 -38.43 12.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 66.5 tp -66.31 -34.82 78.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.964 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.9 t -71.5 -51.34 33.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.113 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.461 ' CE1' ' HB3' ' A' ' 65' ' ' LEU . 71.2 t80 -57.27 -40.1 77.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.962 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.481 ' NE2' ' O ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -59.65 -28.47 67.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.895 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 25.2 mt -82.49 -42.7 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 57.7 mt -58.44 -43.4 86.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.148 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.57 -28.27 67.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -67.99 -37.7 81.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.32 -38.4 68.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.63 -172.57 41.0 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -46.39 -41.55 13.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.955 0.407 . . . . 0.0 110.905 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.9 mtmp? -50.18 -35.62 27.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 89.08 -170.67 37.94 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.475 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.418 ' CD1' HG23 ' A' ' 42' ' ' VAL . 15.4 tt -149.85 150.1 14.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.82 0.343 . . . . 0.0 111.161 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.5 ' CZ3' ' HD3' ' A' ' 40' ' ' ARG . 11.6 t90 -80.99 128.66 33.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.8 t -38.35 -40.61 0.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.5 ' HD3' ' CZ3' ' A' ' 38' ' ' TRP . 21.9 ttt180 -67.87 -53.41 26.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.861 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -45.04 -28.97 0.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.428 ' O ' ' C ' ' A' ' 43' ' ' ARG . 48.4 t -72.1 -51.31 31.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 42' ' ' VAL . 22.2 mtm180 -35.82 -47.69 0.52 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.87 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -68.83 -44.66 72.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 42' ' ' VAL . 32.7 mmtm -59.33 -59.06 6.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.923 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.9 m -73.07 -19.17 61.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 65.3 t30 64.97 32.03 10.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 38.1 mt -111.4 157.19 39.79 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.647 0.737 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 155.21 66.51 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.674 2.249 . . . . 0.0 112.331 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.468 HD12 ' ND2' ' A' ' 54' ' ' ASN . 1.2 tm? -47.69 -47.31 29.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.3 t -54.02 -25.55 21.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -86.79 -46.99 9.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.431 HG22 ' CD1' ' A' ' 57' ' ' LEU . 1.6 mp -63.78 -29.73 48.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.073 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.468 ' ND2' HD12 ' A' ' 50' ' ' LEU . 9.1 m-20 -73.94 -50.18 21.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -68.49 -37.21 79.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 43.6 mt -70.92 -55.46 14.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.133 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.458 HD12 ' CE2' ' A' ' 80' ' ' TYR . 23.5 mt -46.06 -36.89 6.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 61' ' ' GLU . 7.5 tmtm? -78.56 -59.62 2.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 58' ' ' LYS . 28.0 m-20 -35.17 -47.84 0.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 50.3 mt -60.8 -47.64 85.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 58' ' ' LYS . 26.5 mt-10 -49.56 -20.11 0.7 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t -89.22 -27.86 20.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.839 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 28.1 mttt -86.45 15.56 5.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.835 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.0 mttm 54.46 30.11 12.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.876 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.461 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 39.3 mt -96.36 -34.94 11.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 16.6 pt -142.99 173.28 6.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.148 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 43.9 pttt -151.22 164.32 36.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -97.01 125.28 41.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.059 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 69.9 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 179.958 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 7.4 t . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.835 0.35 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.458 ' CE2' HD12 ' A' ' 57' ' ' LEU . 79.0 m-85 -122.19 125.47 46.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.971 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.437 ' O ' ' C ' ' A' ' 82' ' ' LEU . 13.3 ptp -139.63 153.01 47.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 81' ' ' MET . 10.6 mt -34.6 151.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -78.79 -42.88 26.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 56.6 m-20 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.977 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.751 0.31 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -73.37 -26.25 60.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.432 ' HG3' ' N ' ' A' ' 24' ' ' LEU . 14.1 ptmt -88.83 -41.67 12.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.432 ' N ' ' HG3' ' A' ' 23' ' ' LYS . 54.8 tp -59.16 -24.3 62.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.93 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 95.4 t -87.06 -50.12 14.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.15 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.454 ' CE1' ' HB3' ' A' ' 65' ' ' LEU . 89.4 t80 -56.56 -35.03 67.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 -65.1 -34.93 79.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.417 HD12 ' CB ' ' A' ' 45' ' ' LYS . 22.7 mt -77.33 -35.45 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.11 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 94.8 mt -63.77 -48.68 85.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.185 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -63.04 -31.9 73.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -62.82 -39.56 94.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.5 -35.09 60.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.064 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.49 -178.54 47.51 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.528 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -42.75 -37.27 1.7 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.922 0.391 . . . . 0.0 110.9 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 45.5 mtmt -53.24 -41.17 65.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 94.19 -173.01 32.56 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.519 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.0 tt -147.84 151.97 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.836 0.351 . . . . 0.0 111.072 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.545 ' CZ3' ' HD3' ' A' ' 40' ' ' ARG . 2.8 t90 -81.34 133.13 35.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.4 t -39.06 -45.08 1.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.545 ' HD3' ' CZ3' ' A' ' 38' ' ' TRP . 39.2 mtp180 -63.42 -59.84 4.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.873 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 40' ' ' ARG . 1.9 m-20 -34.81 -34.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.859 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.461 ' N ' ' O ' ' A' ' 40' ' ' ARG . 90.1 t -69.96 -52.82 27.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.139 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 42' ' ' VAL . 30.7 mtm180 -34.15 -46.76 0.26 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -70.45 -57.3 4.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.963 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.417 ' CB ' HD12 ' A' ' 28' ' ' ILE . 28.3 mmtm -51.51 -60.33 3.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.875 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -63.58 -31.04 72.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.832 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 74.41 27.53 1.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.913 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 33.4 mt -111.38 157.73 38.23 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.568 0.699 . . . . 0.0 110.931 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 155.34 66.18 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.661 2.24 . . . . 0.0 112.366 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.467 ' CD1' ' CG ' ' A' ' 54' ' ' ASN . 0.5 OUTLIER -48.93 -44.28 40.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.6 t -56.79 -24.55 51.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.176 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.45 ' O ' ' CD1' ' A' ' 56' ' ' ILE . 37.4 mm-40 -88.05 -42.8 12.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.452 ' CG2' HD12 ' A' ' 57' ' ' LEU . 1.8 mp -67.04 -36.68 77.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.126 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.467 ' CG ' ' CD1' ' A' ' 50' ' ' LEU . 8.8 m-20 -65.56 -54.4 28.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.99 -43.54 98.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.45 ' CD1' ' O ' ' A' ' 52' ' ' GLU . 35.7 mt -64.45 -58.78 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.47 HD13 ' CE2' ' A' ' 80' ' ' TYR . 23.6 mt -43.5 -41.63 4.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 59' ' ' ASN . 0.8 OUTLIER -74.2 -61.81 1.73 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.847 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 58' ' ' LYS . 15.5 m-80 -35.11 -54.66 0.61 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.432 HD21 ' CD1' ' A' ' 65' ' ' LEU . 70.2 mt -51.55 -47.64 63.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.937 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.491 ' OE2' ' N ' ' A' ' 68' ' ' ALA . 66.1 mt-10 -56.64 -18.33 11.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.81 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 t -89.22 -25.09 21.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.7 mttm -90.5 13.61 15.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 36.2 mmtp 59.75 30.26 19.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.454 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 36.1 mt -95.49 -37.02 11.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 36.8 pt -142.05 177.94 2.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.166 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 30.9 pttt -148.14 163.15 37.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.491 ' N ' ' OE2' ' A' ' 61' ' ' GLU . . . -95.78 118.58 32.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 57.2 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.988 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 17.3 t . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.818 0.342 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.47 ' CE2' HD13 ' A' ' 57' ' ' LEU . 88.5 m-85 -122.63 125.1 44.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 12.3 ptp -136.06 -179.96 5.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.875 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.7 mt -61.81 146.64 48.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -77.31 -54.77 6.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 43.8 t-20 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.851 180.0 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.461 ' CG ' HD13 ' A' ' 48' ' ' LEU . 18.0 mp0 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.763 0.315 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -60.25 -27.23 67.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.5 mtpt -78.11 -57.63 3.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 41.2 tp -51.64 -28.58 14.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 84.7 t -80.8 -43.69 21.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.155 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.433 ' CE1' ' HB3' ' A' ' 65' ' ' LEU . 45.2 t80 -62.88 -26.02 68.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.451 ' NE2' ' OE1' ' A' ' 30' ' ' GLU . 9.7 mm-40 -81.3 -27.11 35.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.465 HD13 ' CB ' ' A' ' 45' ' ' LYS . 37.0 mt -76.18 -30.34 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 70.1 mt -73.45 -42.73 56.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.165 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.451 ' OE1' ' NE2' ' A' ' 27' ' ' GLN . 7.1 pt-20 -68.04 -22.8 64.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -73.36 -40.26 64.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.934 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.44 -29.45 35.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.104 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 85.48 -173.39 47.78 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.529 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -51.5 -35.64 41.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.861 0.362 . . . . 0.0 110.839 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.6 mtmm -52.21 -28.66 19.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 84.21 -176.67 51.71 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.456 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.439 ' CG1' ' HB3' ' A' ' 41' ' ' ASP . 9.7 tt -145.42 149.33 16.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 0.0 111.143 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.535 ' CE3' ' HB2' ' A' ' 40' ' ' ARG . 5.6 t90 -81.71 131.71 35.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 38' ' ' TRP . 83.5 p -37.13 -46.58 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.862 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.535 ' HB2' ' CE3' ' A' ' 38' ' ' TRP . 28.9 mtp180 -61.37 -56.11 23.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.439 ' HB3' ' CG1' ' A' ' 37' ' ' ILE . 2.6 t70 -39.11 -29.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.423 ' N ' ' O ' ' A' ' 40' ' ' ARG . 23.8 t -72.43 -50.34 35.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.467 ' HD2' ' CD2' ' A' ' 50' ' ' LEU . 8.0 mtp-105 -37.91 -47.04 1.02 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -67.92 -54.84 15.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.948 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.465 ' CB ' HD13 ' A' ' 28' ' ' ILE . 30.9 mmtt -55.42 -62.97 1.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.929 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 92.1 p -63.49 -19.62 64.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.818 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 51.4 t30 62.79 27.49 16.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.461 HD13 ' CG ' ' A' ' 21' ' ' GLN . 49.5 mt -112.13 156.51 41.82 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.62 0.724 . . . . 0.0 110.901 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 157.45 60.35 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.703 2.269 . . . . 0.0 112.39 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.467 ' CD2' ' HD2' ' A' ' 43' ' ' ARG . 0.4 OUTLIER -48.13 -48.34 34.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.875 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.4 t -53.5 -25.17 15.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.215 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -87.43 -48.94 7.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.467 ' CG2' HD11 ' A' ' 57' ' ' LEU . 1.7 mp -61.15 -33.71 57.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.466 ' ND2' HD13 ' A' ' 50' ' ' LEU . 11.3 m-20 -68.6 -53.47 22.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 56' ' ' ILE . 17.5 ptpt -65.78 -38.23 88.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.43 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 33.8 mt -68.64 -54.13 22.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.112 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.468 HD13 ' CE1' ' A' ' 80' ' ' TYR . 15.7 mt -51.93 -32.45 33.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.489 ' CE ' ' OE1' ' A' ' 61' ' ' GLU . 1.0 OUTLIER -78.46 -58.95 2.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.839 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -37.81 -41.48 0.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.7 mt -66.99 -46.9 73.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.931 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.499 ' OE2' ' N ' ' A' ' 68' ' ' ALA . 36.0 mt-10 -55.84 -17.69 6.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t -92.48 -29.49 16.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.9 mttm -86.64 14.97 6.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.7 mmtp 56.76 26.56 11.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.894 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.433 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 42.3 mt -90.81 -32.63 16.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.881 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 21.2 pt -145.99 -175.71 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.163 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.4 pttt -158.33 162.33 37.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.499 ' N ' ' OE2' ' A' ' 61' ' ' GLU . . . -100.19 125.94 46.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.079 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 77.4 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.083 -179.995 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 10.2 t . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.86 0.362 . . . . 0.0 111.086 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.468 ' CE1' HD13 ' A' ' 57' ' ' LEU . 76.4 m-85 -124.91 141.16 52.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.941 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 19.2 ptp -152.11 174.92 13.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 17.9 mt -56.84 137.84 54.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -66.19 -39.3 89.6 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 21.3 t30 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.774 0.321 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -70.02 -17.32 63.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 24' ' ' LEU . 15.8 ptmt -92.02 -44.27 8.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.447 ' N ' ' HG3' ' A' ' 23' ' ' LYS . 48.2 tp -58.05 -31.2 66.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.2 t -78.31 -41.44 26.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.522 ' CE1' ' HB3' ' A' ' 65' ' ' LEU . 52.8 t80 -60.51 -35.58 76.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -67.5 -31.91 72.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 39.6 mt -73.74 -38.87 52.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.117 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 74.1 mt -63.81 -55.23 23.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.33 -24.73 60.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -69.79 -37.87 76.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.91 -39.26 71.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.55 -173.61 40.56 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.479 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -43.06 -47.62 5.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.88 0.371 . . . . 0.0 110.88 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 56.2 mttm -45.29 -39.89 7.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 92.66 -174.37 36.18 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.515 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.4 tt -144.32 154.31 15.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.818 0.342 . . . . 0.0 111.12 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.547 ' CZ3' ' HD2' ' A' ' 40' ' ' ARG . 6.1 t90 -88.03 129.64 35.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 38' ' ' TRP . 1.9 t -34.91 -46.0 0.29 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.547 ' HD2' ' CZ3' ' A' ' 38' ' ' TRP . 78.0 mtt-85 -60.39 -60.31 4.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 40' ' ' ARG . 10.4 t0 -36.64 -31.43 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.466 ' N ' ' O ' ' A' ' 40' ' ' ARG . 93.4 t -70.96 -54.07 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.084 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 42' ' ' VAL . 13.4 mtm105 -35.47 -49.39 0.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -64.94 -53.76 41.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.966 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.2 mmtt -56.73 -63.12 1.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.912 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 91.8 p -62.04 -25.89 67.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.885 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 68.56 28.9 5.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.416 ' HB2' ' CD1' ' A' ' 53' ' ' ILE . 50.8 mt -112.14 156.6 41.7 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.623 0.725 . . . . 0.0 110.87 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 158.19 57.74 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.703 2.269 . . . . 0.0 112.31 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.43 ' CD1' ' C ' ' A' ' 50' ' ' LEU . 3.2 tm? -49.2 -46.27 45.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.941 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.424 HG21 ' N ' ' A' ' 52' ' ' GLU . 14.6 t -55.9 -22.48 26.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.101 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.424 ' N ' HG21 ' A' ' 51' ' ' THR . 39.8 mm-40 -89.83 -47.13 8.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.433 ' CG2' HD13 ' A' ' 57' ' ' LEU . 1.7 mp -64.63 -25.2 37.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.169 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.418 ' CG ' HD11 ' A' ' 50' ' ' LEU . 9.3 m-20 -75.13 -52.18 11.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.456 ' HG3' ' N ' ' A' ' 56' ' ' ILE . 9.2 pttp -67.92 -35.52 78.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.456 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 43.3 mt -71.73 -54.47 16.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.13 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.494 HD11 ' CE1' ' A' ' 80' ' ' TYR . 26.0 mt -48.58 -44.71 37.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.893 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' A' ' 61' ' ' GLU . 34.6 tttp -71.55 -62.36 1.44 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 55' ' ' LYS . 2.1 m-80 -35.04 -44.39 0.23 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.443 HD23 ' CD1' ' A' ' 65' ' ' LEU . 71.0 mt -62.71 -45.35 93.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 58' ' ' LYS . 47.5 mt-10 -56.98 -19.32 17.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 t -88.85 -28.3 20.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.824 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.9 mttm -86.13 14.44 6.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 33.2 mmtm 57.32 29.45 16.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.911 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.522 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 20.8 mt -93.76 -39.78 10.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.401 ' HA ' ' N ' ' A' ' 83' ' ' TYR . 24.5 pt -138.81 -177.29 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.156 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.5 ptmt -152.2 169.42 22.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -108.76 121.54 45.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.132 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.452 ' CG2' ' HE2' ' A' ' 81' ' ' MET . 97.1 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.087 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 10.4 t . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.817 0.341 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.494 ' CE1' HD11 ' A' ' 57' ' ' LEU . 95.5 m-85 -126.16 149.23 49.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.978 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.452 ' HE2' ' CG2' ' A' ' 69' ' ' VAL . 10.6 ptp -162.83 170.26 18.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.7 mt -48.19 142.44 5.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.401 ' N ' ' HA ' ' A' ' 66' ' ' ILE . 55.7 t80 -67.65 -43.34 80.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.902 179.981 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.747 0.308 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.423 ' CD ' HD22 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -58.05 -33.42 69.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.9 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.2 mtpp -73.3 -61.02 1.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 51.3 tp -44.78 -38.94 4.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.434 ' CB ' HG21 ' A' ' 56' ' ' ILE . 47.6 t -68.92 -52.45 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -56.87 -31.68 65.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.422 ' NE2' ' HA ' ' A' ' 27' ' ' GLN . 11.3 mm100 -71.62 -30.47 65.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.902 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.452 HG23 ' CB ' ' A' ' 45' ' ' LYS . 43.4 mt -77.81 -32.25 17.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.155 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 52.8 mt -68.31 -53.3 29.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.136 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -56.64 -31.66 64.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.865 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -66.04 -34.34 77.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.411 ' CB ' ' O ' ' A' ' 36' ' ' GLY . . . -53.47 -37.14 62.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.158 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 84.22 -175.04 51.18 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.462 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -42.27 -44.68 3.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.873 0.368 . . . . 0.0 110.888 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 19.5 mtpt -47.98 -39.7 20.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.411 ' O ' ' CB ' ' A' ' 32' ' ' ALA . . . 94.95 -165.93 25.8 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.474 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 20.6 tt -153.11 139.93 12.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.835 0.35 . . . . 0.0 111.082 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.559 ' CZ3' ' HD3' ' A' ' 40' ' ' ARG . 1.0 OUTLIER -81.05 130.23 34.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.904 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 38' ' ' TRP . 7.7 t -34.74 -42.65 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.841 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.559 ' HD3' ' CZ3' ' A' ' 38' ' ' TRP . 27.1 mtp85 -57.26 -55.84 29.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -40.85 -39.42 1.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.9 t -60.37 -53.47 48.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.153 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -38.16 -41.61 0.61 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.841 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -80.65 -57.47 3.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.972 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.452 ' CB ' HG23 ' A' ' 28' ' ' ILE . 50.8 mmtt -51.04 -60.78 2.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.865 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.5 m -69.44 -20.53 63.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 17.9 m120 64.8 28.69 12.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.418 HD11 ' CD1' ' A' ' 56' ' ' ILE . 19.8 mt -108.74 157.97 35.31 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.621 0.724 . . . . 0.0 110.876 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 155.19 66.73 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.672 2.248 . . . . 0.0 112.369 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.531 ' C ' ' CD1' ' A' ' 50' ' ' LEU . 2.2 tm? -46.98 -47.03 21.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.883 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.461 HG21 ' N ' ' A' ' 52' ' ' GLU . 15.3 t -58.21 -25.87 62.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.461 ' N ' HG21 ' A' ' 51' ' ' THR . 27.5 mm-40 -84.59 -40.59 17.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.427 ' N ' HD12 ' A' ' 53' ' ' ILE . 1.8 mp -67.29 -34.0 66.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.154 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.469 ' ND2' HD11 ' A' ' 50' ' ' LEU . 1.2 m-80 -68.72 -50.29 51.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 56' ' ' ILE . 17.9 ptpt -64.99 -42.5 94.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.449 ' CD1' ' O ' ' A' ' 52' ' ' GLU . 29.7 mt -65.54 -58.32 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.159 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.559 HD12 ' CE1' ' A' ' 80' ' ' TYR . 33.5 mt -47.3 -39.39 14.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 59' ' ' ASN . 27.7 ttpt -75.68 -60.7 2.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 58' ' ' LYS . 15.0 m-80 -36.15 -47.99 0.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.912 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.436 ' CD2' HD11 ' A' ' 65' ' ' LEU . 65.0 mt -61.8 -48.28 81.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -51.12 -19.11 1.02 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.94 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 t -91.25 -33.78 15.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.839 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.6 mttp -79.93 12.08 2.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.3 mmmt 59.66 29.53 19.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.436 HD11 ' CD2' ' A' ' 60' ' ' LEU . 75.1 mt -94.28 -35.97 12.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 33.3 pt -144.08 -178.01 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.137 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.4 pttp -151.24 162.45 40.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.975 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -98.52 127.89 44.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.126 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 84.3 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.146 179.988 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 31.5 t . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.853 0.359 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.559 ' CE1' HD12 ' A' ' 57' ' ' LEU . 49.8 m-85 -134.4 149.13 50.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 10.1 ptp -159.74 175.03 13.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.892 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.4 mt -54.65 138.01 42.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -72.2 -27.49 62.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 31.7 m120 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.854 -179.983 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.778 0.323 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -67.6 -24.12 65.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.433 ' HG3' ' N ' ' A' ' 24' ' ' LEU . 20.2 pttt -81.74 -34.29 30.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.433 ' N ' ' HG3' ' A' ' 23' ' ' LYS . 60.0 tp -72.22 -32.29 66.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 58.8 t -75.43 -44.87 41.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -59.16 -38.55 80.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.957 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.402 ' NE2' ' O ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -62.32 -38.12 88.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.937 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.451 HD13 ' CB ' ' A' ' 45' ' ' LYS . 20.1 mt -71.56 -35.01 54.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.169 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 92.9 mt -63.64 -48.93 84.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.098 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -63.89 -24.83 67.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -69.75 -38.08 76.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.14 -38.14 62.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.084 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.54 -179.84 41.95 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.485 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.48 ' O ' ' CE ' ' A' ' 81' ' ' MET . 5.7 t-20 -45.14 -35.45 3.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.884 0.373 . . . . 0.0 110.851 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 27.2 mmtp -51.42 -45.2 62.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 104.09 -175.24 22.9 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.445 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.2 tt -148.12 151.81 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.842 0.353 . . . . 0.0 111.166 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.463 ' O ' ' N ' ' A' ' 41' ' ' ASP . 9.3 t90 -92.29 128.01 37.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 76.2 p -38.94 -38.9 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.431 ' O ' ' CE2' ' A' ' 44' ' ' TYR . 34.7 ttm-85 -62.24 -41.57 98.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 38' ' ' TRP . 5.5 t70 -59.13 -42.44 90.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.44 ' O ' ' C ' ' A' ' 43' ' ' ARG . 54.6 t -58.1 -49.96 79.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.159 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.471 ' CZ ' ' HB3' ' A' ' 43' ' ' ARG . 6.8 mtp-105 -35.2 -45.75 0.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.431 ' CE2' ' O ' ' A' ' 40' ' ' ARG . 4.4 m-85 -74.08 -55.83 5.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.451 ' CB ' HD13 ' A' ' 28' ' ' ILE . 0.7 OUTLIER -55.1 -63.17 1.24 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.898 179.914 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.423 ' N ' HD13 ' A' ' 28' ' ' ILE . 78.2 p -60.92 -15.64 33.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 51.8 t30 56.2 36.07 26.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.931 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 28.1 mt -120.26 157.62 52.97 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.559 0.695 . . . . 0.0 110.953 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 155.78 65.11 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.681 2.254 . . . . 0.0 112.351 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.463 HD11 ' ND2' ' A' ' 54' ' ' ASN . 3.0 tm? -47.48 -47.48 27.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.922 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.8 t -57.08 -24.73 56.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.164 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -86.03 -40.95 15.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.472 HD13 ' N ' ' A' ' 53' ' ' ILE . 1.7 mp -67.09 -33.16 61.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.147 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.463 ' ND2' HD11 ' A' ' 50' ' ' LEU . 1.2 m-80 -68.92 -54.85 13.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.3 ptmm? -63.47 -37.6 87.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.921 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 59.2 mt -69.64 -55.22 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.438 ' CD1' HG23 ' A' ' 53' ' ' ILE . 41.6 mt -51.79 -36.31 47.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 59' ' ' ASN . 25.2 ttpt -71.92 -61.85 1.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.43 ' C ' ' O ' ' A' ' 58' ' ' LYS . 16.3 m-20 -35.05 -55.18 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.464 ' CB ' HG12 ' A' ' 66' ' ' ILE . 25.7 mt -55.9 -45.74 78.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.938 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 58' ' ' LYS . 54.7 mt-10 -58.2 -23.74 56.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.919 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.0 t -95.07 -24.73 16.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.4 mtpp -88.48 20.17 3.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.944 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.7 mmtt 52.42 44.0 30.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.457 ' CD1' HD21 ' A' ' 60' ' ' LEU . 70.8 mt -113.65 -31.74 6.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.933 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.464 HG12 ' CB ' ' A' ' 60' ' ' LEU . 34.0 pt -147.54 -176.79 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.166 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 43.1 pttt -156.93 166.03 34.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -94.59 127.99 40.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.103 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 72.7 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.084 -179.982 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 15.1 t . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.842 0.353 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.4 ' CE1' HD11 ' A' ' 57' ' ' LEU . 39.6 m-85 -129.88 149.44 51.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.48 ' CE ' ' O ' ' A' ' 34' ' ' ASN . 7.6 ptp -157.12 167.75 29.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 28.4 mt -51.12 137.53 21.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.442 ' N ' ' HA ' ' A' ' 66' ' ' ILE . 25.9 t80 -75.8 -29.05 58.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.824 -179.969 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.458 ' CG ' HD12 ' A' ' 48' ' ' LEU . 7.5 mp0 . . . . . 0 C--O 1.23 0.039 0 CA-C-O 120.769 0.318 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -67.77 -19.63 65.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.7 ptmt -87.91 -33.8 18.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 69.0 tp -74.29 -25.96 59.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 92.1 t -81.43 -41.89 19.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.102 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.548 ' CE1' ' HB3' ' A' ' 65' ' ' LEU . 45.9 t80 -63.0 -23.37 67.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.8 -25.32 30.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.946 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.465 HG23 ' CB ' ' A' ' 45' ' ' LYS . 24.6 mt -81.52 -29.88 10.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.12 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.472 ' CG2' ' O ' ' A' ' 80' ' ' TYR . 37.0 mt -72.2 -48.4 49.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -60.54 -24.12 65.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -69.93 -38.31 76.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.07 -33.89 58.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.1 -172.88 42.33 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.464 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.7 p-10 -49.23 -35.63 18.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.866 0.365 . . . . 0.0 110.908 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 29.1 mtmt -56.31 -31.55 63.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 83.24 -173.61 51.92 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.535 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.451 HG12 ' N ' ' A' ' 38' ' ' TRP . 13.4 tt -145.66 157.86 12.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.772 0.32 . . . . 0.0 111.155 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.559 ' CH2' ' HD3' ' A' ' 40' ' ' ARG . 5.6 t90 -88.48 141.11 28.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.3 t -41.56 -56.88 2.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.559 ' HD3' ' CH2' ' A' ' 38' ' ' TRP . 1.0 OUTLIER -51.97 -62.25 1.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 40' ' ' ARG . 42.8 t0 -34.38 -38.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.431 ' O ' ' C ' ' A' ' 43' ' ' ARG . 19.9 t -63.12 -52.24 61.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.126 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 47' ' ' ASN . 30.5 mtp180 -34.27 -58.98 0.46 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -55.85 -51.79 66.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.939 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.465 ' CB ' HG23 ' A' ' 28' ' ' ILE . 46.5 mmtt -55.01 -63.21 1.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.888 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.0 p -68.58 -10.16 54.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 43' ' ' ARG . 19.8 t-20 56.11 26.58 10.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.458 HD12 ' CG ' ' A' ' 21' ' ' GLN . 28.9 mt -109.35 156.78 38.85 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.602 0.715 . . . . 0.0 110.887 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 157.37 60.59 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.657 2.238 . . . . 0.0 112.362 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.468 HD12 ' ND2' ' A' ' 54' ' ' ASN . 3.4 tm? -48.58 -46.59 39.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.6 t -57.25 -23.84 50.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.151 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.429 ' O ' ' CG1' ' A' ' 56' ' ' ILE . 38.9 mm-40 -87.88 -41.75 12.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.471 HG22 ' CD1' ' A' ' 57' ' ' LEU . 1.7 mp -68.37 -30.18 46.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.098 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.468 ' ND2' HD12 ' A' ' 50' ' ' LEU . 1.2 m-80 -72.02 -53.25 13.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.437 ' HG3' ' N ' ' A' ' 56' ' ' ILE . 0.2 OUTLIER -66.27 -36.7 83.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 179.92 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.437 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 60.6 mt -70.26 -54.52 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.161 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.523 HD12 ' CD2' ' A' ' 80' ' ' TYR . 35.7 mt -50.51 -41.77 53.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 59' ' ' ASN . 22.7 ttmt -65.6 -60.47 2.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 58' ' ' LYS . 2.2 m-80 -35.2 -50.44 0.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 71.4 mt -56.84 -47.67 79.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 58' ' ' LYS . 41.6 mt-10 -55.78 -16.48 4.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.2 t -91.17 -25.69 19.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.8 mttm -91.45 13.19 18.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.6 mttp 59.42 26.27 15.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.904 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.548 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 70.8 mt -89.17 -32.59 17.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 19.4 pt -145.45 -175.36 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.9 pttm -160.64 158.25 28.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.417 ' N ' ' OE2' ' A' ' 61' ' ' GLU . . . -92.83 123.59 36.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.101 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 86.7 t . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.093 -179.973 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.449 HG11 ' N ' ' A' ' 37' ' ' ILE . 46.2 t . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.856 0.36 . . . . 0.0 111.135 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.523 ' CD2' HD12 ' A' ' 57' ' ' LEU . 94.5 m-85 -109.85 113.16 25.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 19.0 ptp -127.13 176.12 7.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 28.6 mt -56.62 138.03 52.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -71.35 -28.5 64.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 23.8 t30 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 -179.988 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.715 0.293 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -52.62 -31.29 35.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.01 -60.34 2.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.909 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 44.5 tp -46.63 -31.46 2.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 95.1 t -75.81 -49.56 25.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.146 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -58.5 -34.07 70.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.921 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -69.17 -31.71 70.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.42 HD13 ' CB ' ' A' ' 45' ' ' LYS . 31.5 mt -76.31 -32.79 22.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.107 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 51.3 mt -69.54 -56.39 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.16 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -58.3 -31.78 67.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -62.99 -37.47 87.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.15 -39.3 63.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.088 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.5 -165.61 26.2 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.483 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -52.74 -45.68 67.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.95 0.405 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.3 mmtt -48.12 -37.2 14.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 88.39 -174.13 43.08 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.517 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.452 HG12 ' N ' ' A' ' 38' ' ' TRP . 14.2 tt -140.86 159.43 23.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.865 0.365 . . . . 0.0 111.099 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.54 ' CZ3' ' HD2' ' A' ' 40' ' ' ARG . 2.2 t90 -94.32 130.62 40.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 38' ' ' TRP . 31.5 t -34.14 -51.96 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.54 ' HD2' ' CZ3' ' A' ' 38' ' ' TRP . 37.2 mtt85 -57.4 -58.1 9.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.825 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 40' ' ' ARG . 1.7 t70 -35.88 -37.53 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.45 ' O ' ' C ' ' A' ' 43' ' ' ARG . 57.7 t -65.73 -53.22 40.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 42' ' ' VAL . 19.6 mtp180 -34.0 -51.13 0.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -66.19 -55.0 18.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.42 ' CB ' HD13 ' A' ' 28' ' ' ILE . 25.9 mmtp -53.95 -63.23 1.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.9 m -62.82 -25.74 68.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.808 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 70.02 25.03 4.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 24.2 mt -108.09 157.14 36.97 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.581 0.705 . . . . 0.0 110.929 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 155.03 66.99 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.672 2.248 . . . . 0.0 112.319 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.455 HD13 ' ND2' ' A' ' 54' ' ' ASN . 1.7 tm? -48.37 -46.06 36.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.7 t -55.63 -24.83 35.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.163 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.444 ' O ' ' CD1' ' A' ' 56' ' ' ILE . 31.8 mm-40 -87.07 -43.54 12.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.472 ' CG2' HD11 ' A' ' 57' ' ' LEU . 1.7 mp -65.74 -39.16 84.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.127 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.455 ' ND2' HD13 ' A' ' 50' ' ' LEU . 11.1 m-20 -63.72 -51.36 65.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.851 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 56' ' ' ILE . 18.4 ptpt -64.67 -41.22 96.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.467 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 26.1 mt -66.26 -57.84 8.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.148 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.472 HD11 ' CG2' ' A' ' 53' ' ' ILE . 46.0 mt -44.88 -40.51 6.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.954 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' A' ' 61' ' ' GLU . 18.1 ttmt -68.12 -64.88 0.77 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 58' ' ' LYS . 26.3 m-20 -35.16 -50.85 0.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.453 ' CB ' HG12 ' A' ' 66' ' ' ILE . 77.9 mt -57.3 -42.32 81.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 58' ' ' LYS . 64.4 mt-10 -63.99 -24.18 67.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 t -90.73 -25.19 20.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.6 mtpp -91.09 21.57 4.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.907 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 60.3 mmtt 50.86 38.54 20.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 43.2 mt -106.38 -32.3 8.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.453 HG12 ' CB ' ' A' ' 60' ' ' LEU . 18.9 pt -147.18 178.12 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.154 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 34.2 pttt -152.54 164.57 37.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -101.39 122.03 43.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 70.0 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 180.0 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 40.9 t . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.803 0.335 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.414 ' CE1' HD12 ' A' ' 57' ' ' LEU . 77.8 m-85 -117.62 123.75 46.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 14.9 ptp -134.69 177.97 7.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.874 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.4 mt -58.16 140.92 51.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.961 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -66.21 -33.77 76.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.934 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.7 m120 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.877 179.979 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.73 0.3 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -65.4 -26.48 68.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.856 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.6 mtmt -78.12 -60.21 2.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 35.2 tp -41.94 -38.98 1.72 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.9 t -72.12 -46.64 57.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.458 ' CE1' ' HB3' ' A' ' 65' ' ' LEU . 60.0 t80 -59.3 -28.31 66.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.47 -43.59 31.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 25.7 mt -63.34 -37.78 80.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 74.0 mt -63.11 -58.81 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -52.47 -26.75 13.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -64.72 -42.22 95.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.52 -39.39 64.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.119 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.78 -160.08 30.96 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.476 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -54.12 -47.49 71.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.9 0.381 . . . . 0.0 110.893 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.4 ptpt -45.04 -29.72 0.92 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.467 ' HA3' ' CG1' ' A' ' 79' ' ' VAL . . . 83.02 179.16 52.59 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.496 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.5 tt -136.23 150.33 27.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.835 0.35 . . . . 0.0 111.145 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.53 ' CE3' ' HB2' ' A' ' 40' ' ' ARG . 4.1 t90 -84.99 127.44 34.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 38' ' ' TRP . 86.1 p -35.0 -42.9 0.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.823 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.53 ' HB2' ' CE3' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -60.86 -57.93 10.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -39.58 -30.66 0.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.3 t -69.78 -41.92 79.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' A' ' 40' ' ' ARG . 40.9 mtp180 -48.77 -37.05 17.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.815 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -81.19 -63.38 1.42 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -48.18 -55.1 11.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.9 m -71.14 -14.35 62.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.799 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.6 m120 56.73 31.85 20.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 32.2 mt -117.05 156.26 48.55 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.588 0.709 . . . . 0.0 110.934 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 155.22 66.59 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.708 2.272 . . . . 0.0 112.366 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.457 HD21 ' ND2' ' A' ' 54' ' ' ASN . 3.4 tm? -47.03 -49.42 21.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.918 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.3 t -54.03 -25.29 20.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.168 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -87.32 -39.57 15.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.43 HD11 ' N ' ' A' ' 53' ' ' ILE . 1.8 mp -69.31 -33.84 59.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.133 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.457 ' ND2' HD21 ' A' ' 50' ' ' LEU . 1.2 m-80 -67.64 -52.96 32.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.457 ' HG3' ' N ' ' A' ' 56' ' ' ILE . 16.6 ptpt -65.61 -41.78 92.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.457 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 43.0 mt -65.86 -56.73 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.401 HD11 ' CG2' ' A' ' 53' ' ' ILE . 33.8 mt -47.56 -43.36 25.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' A' ' 61' ' ' GLU . 8.7 tptp -67.71 -63.0 1.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 58' ' ' LYS . 15.1 m-80 -34.99 -51.18 0.51 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.888 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 65.5 mt -55.88 -42.88 76.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 58' ' ' LYS . 48.6 mt-10 -61.17 -17.84 55.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.2 t -90.8 -26.58 19.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.9 mttm -92.11 19.43 6.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.494 ' HG2' ' CE2' ' A' ' 83' ' ' TYR . 14.5 mtpp 53.67 31.76 13.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.458 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 23.6 mt -96.14 -28.28 14.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.949 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 19.7 pt -153.04 176.95 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.9 pttp -150.86 160.99 43.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.898 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.471 ' N ' ' OE2' ' A' ' 61' ' ' GLU . . . -98.71 127.65 44.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.079 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.446 ' CG2' ' HE2' ' A' ' 81' ' ' MET . 93.0 t . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.467 ' CG1' ' HA3' ' A' ' 36' ' ' GLY . 20.4 t . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.876 0.369 . . . . 0.0 111.109 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.455 ' N ' HG13 ' A' ' 79' ' ' VAL . 97.1 m-85 -135.46 136.15 41.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.446 ' HE2' ' CG2' ' A' ' 69' ' ' VAL . 9.2 ptp -147.08 165.58 29.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.8 mt -43.83 144.81 0.78 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.494 ' CE2' ' HG2' ' A' ' 64' ' ' LYS . 22.7 t80 -73.73 -29.36 62.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 60.8 t-20 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 179.966 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.725 0.298 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -70.44 -19.74 62.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.454 ' HG3' ' N ' ' A' ' 24' ' ' LEU . 3.1 pttp -82.15 -30.65 30.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.957 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.454 ' N ' ' HG3' ' A' ' 23' ' ' LYS . 27.9 tp -76.57 -26.66 55.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 37.1 t -80.68 -39.84 18.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.135 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -62.89 -39.08 93.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.404 ' NE2' ' HA ' ' A' ' 27' ' ' GLN . 9.2 mm-40 -63.55 -37.13 86.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.913 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.471 HD11 ' N ' ' A' ' 46' ' ' SER . 50.5 mt -68.85 -40.24 81.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 64.4 mt -62.69 -52.89 54.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -58.59 -27.9 65.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -64.58 -40.24 95.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.96 -39.82 66.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.87 -143.11 16.29 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.468 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -76.43 -24.82 53.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.922 0.391 . . . . 0.0 110.95 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 20.5 pttt -70.53 -5.98 32.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 59.14 -175.56 2.99 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.44 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.404 ' CD1' HG23 ' A' ' 42' ' ' VAL . 13.1 tt -143.13 149.92 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.836 0.351 . . . . 0.0 111.115 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.445 ' CE3' ' HB3' ' A' ' 40' ' ' ARG . 12.9 t90 -80.89 137.55 36.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 65.6 p -43.67 -42.55 5.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.445 ' HB3' ' CE3' ' A' ' 38' ' ' TRP . 38.3 ttt180 -67.11 -55.59 13.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.879 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -41.18 -30.56 0.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.431 ' O ' ' C ' ' A' ' 43' ' ' ARG . 97.2 t -71.98 -51.28 31.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.167 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 42' ' ' VAL . 32.0 mtp180 -34.1 -54.29 0.49 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -59.84 -56.91 15.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.953 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.415 ' CB ' HD11 ' A' ' 28' ' ' ILE . 41.5 mmtt -51.91 -61.49 2.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.918 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.471 ' N ' HD11 ' A' ' 28' ' ' ILE . 89.9 p -68.06 -11.92 59.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 54.05 26.94 6.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 36.1 mt -107.07 157.19 35.96 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.605 0.717 . . . . 0.0 110.934 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 155.17 66.68 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.747 2.298 . . . . 0.0 112.303 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.466 HD13 ' ND2' ' A' ' 54' ' ' ASN . 0.5 OUTLIER -48.9 -44.26 40.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.916 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.6 t -58.38 -24.09 58.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.13 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -87.18 -44.4 11.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.7 mp -66.22 -36.2 76.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.171 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.466 ' ND2' HD13 ' A' ' 50' ' ' LEU . 9.0 m-20 -68.17 -52.49 33.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -67.41 -37.67 83.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 52.2 mt -70.15 -55.38 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.132 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.563 HD12 ' CE2' ' A' ' 80' ' ' TYR . 18.7 mt -45.2 -48.29 12.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 40.8 tttm -66.1 -57.99 6.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 26.1 m-20 -41.39 -29.32 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 84.1 mt -76.46 -44.84 33.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -58.59 -17.19 19.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.2 t -86.78 -35.03 19.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.4 mttp -80.9 12.1 3.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.564 ' HD2' ' CE2' ' A' ' 83' ' ' TYR . 17.0 mmtp 58.4 36.83 25.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.868 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 97.5 mt -101.43 -31.03 11.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.897 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 5.9 pt -145.05 -175.02 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.2 ptmt -158.19 167.65 29.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -101.01 122.77 44.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.083 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 91.4 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.146 179.959 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 13.2 t . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.862 0.363 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.563 ' CE2' HD12 ' A' ' 57' ' ' LEU . 99.1 m-85 -122.34 128.73 51.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.946 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 9.4 ptp -138.44 174.0 11.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.904 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.6 mt -53.12 138.31 31.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.564 ' CE2' ' HD2' ' A' ' 64' ' ' LYS . 37.9 t80 -69.0 -26.46 65.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.865 -179.979 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.771 0.32 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -52.84 -16.52 1.03 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 31.9 mtpt -88.96 -58.33 2.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 37.7 tp -50.62 -28.06 8.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.454 ' CG2' HG23 ' A' ' 56' ' ' ILE . 91.6 t -79.41 -46.15 23.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.11 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -57.84 -39.09 76.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -67.39 -35.3 79.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.919 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.418 HD12 ' C ' ' A' ' 45' ' ' LYS . 42.5 mt -68.15 -36.57 75.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.9 mt -65.91 -55.56 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.099 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -56.51 -24.45 46.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -67.64 -43.27 80.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.78 -27.55 29.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.07 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.22 -153.26 26.39 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.463 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -65.42 -45.02 85.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.875 0.369 . . . . 0.0 110.901 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.6 mtmm -46.18 -38.46 8.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 96.42 -167.13 24.57 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.488 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.41 ' CD1' HG21 ' A' ' 42' ' ' VAL . 15.8 tt -146.91 158.03 10.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.818 0.342 . . . . 0.0 111.162 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.513 ' CZ3' ' HD2' ' A' ' 40' ' ' ARG . 17.8 t90 -96.81 131.79 43.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 38' ' ' TRP . 3.7 t -35.31 -50.31 0.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.513 ' HD2' ' CZ3' ' A' ' 38' ' ' TRP . 7.1 ttm180 -54.06 -50.53 66.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.87 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -49.79 -51.78 37.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.41 HG21 ' CD1' ' A' ' 37' ' ' ILE . 73.2 t -53.02 -35.62 22.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.6 ttp180 -46.78 -67.07 0.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -60.85 -53.52 56.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.418 ' C ' HD12 ' A' ' 28' ' ' ILE . 33.8 mmtm -44.11 -42.64 6.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 65.3 p -93.98 -7.82 41.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.835 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 56.84 26.92 12.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 67.6 mt -109.49 155.27 41.54 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.598 0.713 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 154.4 67.85 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.661 2.241 . . . . 0.0 112.374 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.475 ' CD1' ' ND2' ' A' ' 54' ' ' ASN . 2.1 tm? -47.99 -45.55 31.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.4 t -54.69 -26.47 33.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -84.83 -48.61 9.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.469 ' CG2' ' CD1' ' A' ' 57' ' ' LEU . 1.8 mp -61.02 -29.29 45.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.16 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.475 ' ND2' ' CD1' ' A' ' 50' ' ' LEU . 17.0 m-20 -70.12 -55.27 9.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.448 ' HG3' ' N ' ' A' ' 56' ' ' ILE . 4.5 ptpp? -66.34 -34.16 77.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.454 HG23 ' CG2' ' A' ' 25' ' ' VAL . 57.3 mt -72.16 -52.08 26.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.482 HD12 ' CE2' ' A' ' 80' ' ' TYR . 32.9 mt -51.48 -38.88 56.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.497 ' O ' ' N ' ' A' ' 61' ' ' GLU . 20.1 tttp -68.73 -62.33 1.43 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 58' ' ' LYS . 2.1 m-80 -35.56 -50.63 0.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.466 ' CD2' HD12 ' A' ' 65' ' ' LEU . 66.4 mt -59.08 -41.2 87.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.981 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 58' ' ' LYS . 53.3 mt-10 -64.97 -20.43 66.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 t -96.16 -25.58 15.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.3 mtpp -87.71 19.14 3.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.929 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt 52.91 35.11 18.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.466 HD12 ' CD2' ' A' ' 60' ' ' LEU . 40.0 mt -102.37 -36.79 8.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.459 HG12 ' CB ' ' A' ' 60' ' ' LEU . 17.5 pt -140.02 -175.15 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.117 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.9 pttm -160.63 158.59 29.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.15 125.35 37.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.064 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.45 ' CG2' ' HE2' ' A' ' 81' ' ' MET . 53.3 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.071 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 10.3 t . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.885 0.374 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.482 ' CE2' HD12 ' A' ' 57' ' ' LEU . 97.9 m-85 -132.59 132.69 42.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.45 ' HE2' ' CG2' ' A' ' 69' ' ' VAL . 12.4 ptp -145.49 162.24 37.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.9 mt -45.36 143.48 1.76 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -77.8 -32.71 52.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.5 t30 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 179.977 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.762 0.315 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -70.6 -22.79 62.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.55 -37.73 12.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 27.9 tp -62.1 -34.05 75.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 95.3 t -76.32 -43.96 36.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.136 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.543 ' CE1' ' HB3' ' A' ' 65' ' ' LEU . 59.3 t80 -58.41 -26.51 63.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.882 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.45 -29.8 37.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.928 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.46 HG22 ' CB ' ' A' ' 45' ' ' LYS . 28.6 mt -75.44 -34.48 30.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 53.5 mt -64.06 -55.2 23.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.146 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -57.31 -36.04 70.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -56.06 -39.06 71.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.34 -38.89 63.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.1 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.83 -174.43 34.46 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.467 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -45.5 -44.42 12.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.85 0.357 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.4 mmmt -48.44 -43.1 34.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.58 -165.26 20.16 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.43 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.2 tt -148.95 155.38 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.767 0.318 . . . . 0.0 111.15 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 10.1 t90 -88.62 137.03 32.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.956 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.7 p -39.51 -47.51 1.88 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 42' ' ' VAL . 23.7 mtm180 -64.84 -55.86 16.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -38.08 -29.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 40' ' ' ARG . 93.4 t -74.48 -53.43 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.175 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 42' ' ' VAL . 22.9 mtp180 -34.38 -48.72 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -65.14 -58.45 5.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.46 ' CB ' HG22 ' A' ' 28' ' ' ILE . 25.1 mmtp -53.16 -61.14 2.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.881 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 71.3 p -66.21 -4.95 8.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.838 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 47.5 t30 45.4 33.85 1.39 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.2 mt -116.62 156.57 47.52 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.634 0.731 . . . . 0.0 110.933 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 155.01 66.99 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.624 2.216 . . . . 0.0 112.323 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.468 HD23 ' ND2' ' A' ' 54' ' ' ASN . 3.2 tm? -47.87 -48.08 31.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.966 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.7 t -55.08 -24.1 23.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.176 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.499 ' O ' ' CD1' ' A' ' 56' ' ' ILE . 6.4 mm-40 -87.96 -42.31 12.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.461 ' CG2' ' CD1' ' A' ' 57' ' ' LEU . 1.7 mp -66.5 -33.32 62.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.167 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.468 ' ND2' HD23 ' A' ' 50' ' ' LEU . 1.1 m-80 -66.72 -54.01 27.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.437 ' HG3' ' N ' ' A' ' 56' ' ' ILE . 17.3 ptpt -62.77 -41.32 99.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.499 ' CD1' ' O ' ' A' ' 52' ' ' GLU . 23.6 mt -67.28 -57.3 10.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.558 HD11 ' CE2' ' A' ' 80' ' ' TYR . 41.4 mt -47.74 -44.55 28.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 59' ' ' ASN . 21.4 mtpp -73.14 -62.1 1.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 58' ' ' LYS . 26.7 m-20 -34.99 -48.95 0.43 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.43 HD21 ' CD1' ' A' ' 65' ' ' LEU . 67.3 mt -60.47 -47.18 87.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.937 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 58' ' ' LYS . 50.7 mt-10 -52.48 -20.26 2.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.2 t -88.24 -32.66 18.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.816 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.7 mttp -82.52 18.4 1.51 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 50.6 mmtt 54.03 37.95 27.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.906 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.543 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 82.7 mt -104.18 -31.76 9.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 13.8 pt -148.09 177.41 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.109 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.5 pttt -150.97 162.2 41.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.426 ' N ' ' OE2' ' A' ' 61' ' ' GLU . . . -101.26 120.1 39.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.124 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 87.3 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.162 179.962 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 41.3 t . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.88 0.371 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.558 ' CE2' HD11 ' A' ' 57' ' ' LEU . 98.8 m-85 -124.25 131.57 53.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 21.1 ptp -142.17 177.02 8.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.832 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 12.3 mt -57.29 141.91 45.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -67.94 -45.81 73.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 41.5 t-20 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.982 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.784 0.326 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -65.6 -20.65 66.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.4 pttt -83.44 -35.61 24.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.8 tp -70.56 -36.26 73.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.449 ' CG1' HG21 ' A' ' 56' ' ' ILE . 28.8 t -74.83 -45.84 42.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.456 ' CE1' ' HB3' ' A' ' 65' ' ' LEU . 61.6 t80 -58.02 -28.39 64.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.936 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -79.23 -43.77 23.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.907 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 33.6 mt -64.04 -30.86 51.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.114 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 54.3 mt -71.52 -52.85 23.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.125 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -58.89 -25.92 63.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -68.36 -33.83 74.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.36 -31.15 67.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.13 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 82.86 -165.08 43.42 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.482 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -53.76 -43.98 69.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.843 0.354 . . . . 0.0 110.881 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 68.5 mttt -47.93 -35.93 11.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 92.05 -173.08 35.85 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.467 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.1 tt -143.18 151.53 17.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.788 0.328 . . . . 0.0 111.144 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.563 ' CH2' ' HD2' ' A' ' 40' ' ' ARG . 7.7 t90 -84.64 136.75 33.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 55.6 p -40.34 -44.16 1.89 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.858 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.563 ' HD2' ' CH2' ' A' ' 38' ' ' TRP . 24.5 mtt180 -64.26 -52.98 56.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.65 -21.74 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.4 ' N ' ' C ' ' A' ' 40' ' ' ARG . 85.1 t -80.91 -38.11 16.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 47' ' ' ASN . 37.1 mtm180 -54.21 -53.11 58.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -61.85 -66.03 0.6 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.96 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 20.7 mmtm -45.45 -50.86 12.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.887 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.8 m -75.0 -16.61 60.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.408 ' N ' ' O ' ' A' ' 43' ' ' ARG . 4.7 m120 56.81 26.5 11.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.877 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 31.0 mt -108.53 157.22 37.16 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.602 0.715 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 154.68 67.25 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.671 2.248 . . . . 0.0 112.347 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.468 ' CD1' ' C ' ' A' ' 50' ' ' LEU . 2.0 tm? -47.65 -46.75 29.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.1 t -54.1 -26.24 26.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.101 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -86.08 -45.24 11.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.919 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.47 HG23 ' CD1' ' A' ' 57' ' ' LEU . 1.7 mp -63.73 -31.76 54.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.155 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.467 ' ND2' HD11 ' A' ' 50' ' ' LEU . 15.5 m-20 -71.27 -51.39 24.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -66.33 -39.54 89.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.449 HG21 ' CG1' ' A' ' 25' ' ' VAL . 47.4 mt -68.32 -56.7 11.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.521 HD12 ' CE2' ' A' ' 80' ' ' TYR . 35.5 mt -47.7 -36.1 10.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 59' ' ' ASN . 7.8 ttpp -76.07 -62.74 1.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.948 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 58' ' ' LYS . 15.7 m-80 -35.08 -55.21 0.6 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.467 HD23 ' CD1' ' A' ' 65' ' ' LEU . 83.6 mt -54.0 -49.21 69.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.433 ' CG ' HG13 ' A' ' 66' ' ' ILE . 46.3 mt-10 -52.27 -27.36 14.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 t -90.57 -28.9 18.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.8 mtpp -85.93 22.12 1.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.469 ' HG2' ' CE2' ' A' ' 83' ' ' TYR . 32.0 mtpt 50.22 42.7 25.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.467 ' CD1' HD23 ' A' ' 60' ' ' LEU . 76.0 mt -112.25 -28.19 8.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.433 HG13 ' CG ' ' A' ' 61' ' ' GLU . 18.8 pt -151.48 -175.02 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.6 158.28 33.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -96.28 122.12 38.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 63.7 t . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 179.984 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.422 HG13 ' N ' ' A' ' 80' ' ' TYR . 14.6 t . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.829 0.347 . . . . 0.0 111.178 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.521 ' CE2' HD12 ' A' ' 57' ' ' LEU . 97.4 m-85 -134.67 146.52 49.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 7.5 ptp -159.38 175.69 13.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.6 mt -54.89 132.58 46.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.469 ' CE2' ' HG2' ' A' ' 64' ' ' LYS . 23.2 t80 -56.69 -39.68 74.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.979 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.785 0.326 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -68.71 -14.23 62.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 24' ' ' LEU . 21.0 pttt -88.64 -36.08 16.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.417 ' N ' ' HG3' ' A' ' 23' ' ' LYS . 51.8 tp -73.37 -32.36 64.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.422 ' CG1' HG22 ' A' ' 56' ' ' ILE . 36.3 t -74.07 -40.46 51.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.155 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.425 ' CE1' ' HB3' ' A' ' 65' ' ' LEU . 31.3 t80 -63.69 -27.57 69.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.07 -44.98 28.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.927 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 22.0 mt -61.03 -36.36 71.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.089 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 52.5 mt -65.04 -57.48 10.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -55.07 -28.09 49.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -64.69 -38.9 92.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.18 -40.13 64.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.1 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.49 -172.52 37.76 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.539 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -46.04 -36.61 5.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.915 0.388 . . . . 0.0 110.874 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -56.46 -37.38 70.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 89.45 179.1 45.25 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.486 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.4 ' CG1' ' HB3' ' A' ' 41' ' ' ASP . 19.0 tt -132.2 157.84 43.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.827 0.346 . . . . 0.0 111.113 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.501 ' CZ3' ' HD2' ' A' ' 40' ' ' ARG . 3.6 t90 -91.52 132.73 36.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 38' ' ' TRP . 78.2 p -34.55 -58.24 0.49 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.501 ' HD2' ' CZ3' ' A' ' 38' ' ' TRP . 77.5 mtt-85 -52.04 -58.15 7.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 40' ' ' ARG . 4.9 t0 -34.56 -37.75 0.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.405 ' N ' ' O ' ' A' ' 40' ' ' ARG . 93.6 t -63.13 -48.01 89.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.48 ' N ' ' O ' ' A' ' 40' ' ' ARG . 27.1 mtp180 -42.48 -42.98 3.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -76.35 -58.1 3.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -50.02 -61.22 2.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 41.9 m -66.39 -22.36 66.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.887 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 67.16 26.49 8.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 31.1 mt -110.91 156.95 39.94 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.594 0.711 . . . . 0.0 110.943 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 153.67 68.78 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.749 2.299 . . . . 0.0 112.308 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.509 ' C ' ' CD1' ' A' ' 50' ' ' LEU . 1.1 tm? -46.28 -49.19 17.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.6 t -50.26 -28.43 7.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.166 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -86.28 -45.79 10.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.468 ' CG2' HD11 ' A' ' 57' ' ' LEU . 1.8 mp -61.63 -33.66 58.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.104 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.439 ' ND2' HD13 ' A' ' 50' ' ' LEU . 9.5 m-20 -67.93 -53.13 28.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.446 ' HG3' ' N ' ' A' ' 56' ' ' ILE . 7.3 ptpp? -68.68 -34.22 75.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.446 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 57.6 mt -71.99 -50.17 39.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.117 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.566 HD12 ' CD2' ' A' ' 80' ' ' TYR . 16.3 mt -53.83 -40.93 66.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.947 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 59' ' ' ASN . 1.0 OUTLIER -69.45 -59.87 2.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.946 179.808 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 58' ' ' LYS . 27.1 m-20 -35.13 -59.02 0.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.445 ' CB ' HG12 ' A' ' 66' ' ' ILE . 90.2 mt -51.17 -48.11 61.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.474 ' OE2' ' N ' ' A' ' 68' ' ' ALA . 30.7 mt-10 -57.0 -15.47 5.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t -98.83 -32.22 11.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -78.36 9.48 3.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt 62.98 41.56 8.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.425 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 73.2 mt -112.64 -35.05 5.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.445 HG12 ' CB ' ' A' ' 60' ' ' LEU . 23.4 pt -140.15 176.62 5.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.445 ' HE3' ' CG2' ' A' ' 69' ' ' VAL . 46.5 pttt -153.18 165.15 36.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.474 ' N ' ' OE2' ' A' ' 61' ' ' GLU . . . -94.21 120.56 34.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.072 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.445 ' CG2' ' HE3' ' A' ' 67' ' ' LYS . 77.7 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.114 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 39.8 t . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.837 0.351 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.566 ' CD2' HD12 ' A' ' 57' ' ' LEU . 92.2 m-85 -115.09 113.75 24.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.925 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 16.6 ptp -127.62 172.79 10.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 15.8 mt -49.37 136.51 15.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -75.64 -30.9 59.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.936 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.773 0.321 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -66.46 -25.41 66.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.461 ' HG3' ' N ' ' A' ' 24' ' ' LEU . 16.6 ptmt -83.6 -44.65 14.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.461 ' N ' ' HG3' ' A' ' 23' ' ' LYS . 16.4 tp -60.36 -33.04 71.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 57.3 t -76.05 -36.37 31.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -68.01 -33.01 73.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -72.84 -22.43 60.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 43.7 mt -84.04 -27.79 7.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.168 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 45.8 mt -73.73 -50.44 29.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.106 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -61.53 -24.45 66.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -72.3 -35.82 68.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.851 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.21 -39.04 63.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.112 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.49 -171.31 41.62 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.475 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -49.65 -32.78 13.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.869 0.366 . . . . 0.0 110.893 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 66.7 mttt -56.06 -39.89 72.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 94.88 -174.6 33.1 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.49 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.4 tt -147.26 140.99 19.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.792 0.33 . . . . 0.0 111.173 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.571 ' CZ3' ' HD3' ' A' ' 40' ' ' ARG . 0.9 OUTLIER -82.64 130.18 35.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 38' ' ' TRP . 2.5 t -34.29 -42.16 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.826 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.571 ' HD3' ' CZ3' ' A' ' 38' ' ' TRP . 33.5 mtp180 -63.47 -55.05 27.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -40.41 -32.69 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.451 ' O ' ' C ' ' A' ' 43' ' ' ARG . 30.6 t -71.02 -54.84 16.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.142 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 42' ' ' VAL . 20.4 mtp180 -34.36 -43.54 0.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.836 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.41 ' CE2' ' O ' ' A' ' 40' ' ' ARG . 2.0 m-85 -73.72 -53.83 9.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.95 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.7 mmtm -57.66 -60.9 2.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.895 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 76.4 p -65.86 -16.02 63.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.787 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 52.4 m-80 57.89 25.62 12.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 26.9 mt -105.29 157.94 33.28 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.605 0.717 . . . . 0.0 110.939 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 154.39 67.51 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.678 2.252 . . . . 0.0 112.348 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.469 HD23 ' ND2' ' A' ' 54' ' ' ASN . 3.4 tm? -47.25 -45.23 23.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.9 t -58.68 -26.25 63.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.165 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.407 ' O ' ' CG1' ' A' ' 56' ' ' ILE . 31.0 mm-40 -85.25 -41.34 15.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.7 mp -67.43 -29.99 47.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.172 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.469 ' ND2' HD23 ' A' ' 50' ' ' LEU . 1.2 m-80 -73.07 -53.12 11.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.45 ' HG3' ' N ' ' A' ' 56' ' ' ILE . 22.2 pttt -65.32 -33.93 77.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.45 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 50.0 mt -73.6 -53.57 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.13 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.556 HD12 ' CD1' ' A' ' 80' ' ' TYR . 16.9 mt -53.8 -28.73 36.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.6 ttpt -85.22 -57.6 3.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 55' ' ' LYS . 2.0 m-80 -38.9 -49.14 1.65 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.841 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.416 HD22 ' CD1' ' A' ' 65' ' ' LEU . 40.8 mt -58.48 -46.91 85.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -54.83 -17.43 3.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 t -89.34 -29.54 19.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.84 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.3 mttm -84.72 7.54 20.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 53.2 mmtt 65.29 29.03 11.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.416 ' CD1' HD22 ' A' ' 60' ' ' LEU . 50.0 mt -93.53 -37.58 11.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.967 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 44.8 pt -140.35 -176.44 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.149 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 36.9 pttt -153.97 161.44 41.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -97.12 130.22 44.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.108 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 80.3 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.14 179.975 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 6.8 t . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.828 0.347 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.556 ' CD1' HD12 ' A' ' 57' ' ' LEU . 89.2 m-85 -124.92 143.13 51.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 9.9 ptp -154.2 162.05 41.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.3 mt -44.1 139.04 2.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -74.24 -32.14 62.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.951 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.906 -179.992 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -126.05 169.65 12.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.887 0.375 . . . . 0.0 110.828 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.3 t -156.93 175.29 14.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.25 143.31 11.32 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.495 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 m -117.23 124.65 49.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.851 0.357 . . . . 0.0 110.896 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -111.98 85.46 2.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.86 92.8 0.52 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.489 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -133.71 144.58 49.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.778 0.323 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.441 ' C ' ' OE1' ' A' ' 10' ' ' GLN . 26.2 t -116.67 104.1 11.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.441 ' OE1' ' C ' ' A' ' 9' ' ' SER . 5.4 mp0 -132.21 98.05 4.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.939 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -143.71 128.56 18.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.71 -44.07 12.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.093 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 104.9 74.37 0.96 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.481 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -93.24 163.93 13.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.766 0.317 . . . . 0.0 110.933 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 5.3 ttp -106.49 135.84 47.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.4 tttt -63.65 165.41 8.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.852 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 105.15 125.79 5.63 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.478 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.5 p -84.4 3.22 36.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.907 0.384 . . . . 0.0 110.902 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -104.44 147.34 27.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -112.79 35.69 3.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 -97.94 -46.12 6.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -72.21 -16.17 61.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.4 pttp -87.16 -33.97 19.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.905 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 47.5 tp -72.45 -35.73 68.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 40.4 t -72.13 -50.28 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.555 ' CE1' ' HB3' ' A' ' 65' ' ' LEU . 57.0 t80 -53.13 -36.8 61.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -67.01 -35.72 80.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.465 ' CD1' ' HB3' ' A' ' 45' ' ' LYS . 49.0 mt -71.73 -29.15 33.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.141 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.424 ' CD1' HD13 ' A' ' 66' ' ' ILE . 84.3 mt -71.6 -47.07 59.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.132 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.428 ' HG3' ' N ' ' A' ' 31' ' ' ASP . 3.4 pt-20 -63.53 -29.46 70.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.917 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.428 ' N ' ' HG3' ' A' ' 30' ' ' GLU . 4.4 t0 -65.33 -36.79 85.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.68 -38.98 67.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.113 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.65 -167.31 36.77 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.49 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -49.0 -45.23 42.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.917 0.389 . . . . 0.0 110.892 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 27.5 mttp -47.68 -39.87 18.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 92.57 -171.2 33.16 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.48 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.4 tt -145.93 153.63 13.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.785 0.326 . . . . 0.0 111.134 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.551 ' CE3' ' HB2' ' A' ' 40' ' ' ARG . 2.2 t90 -89.31 135.91 33.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.6 t -41.73 -37.85 1.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.857 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.551 ' HB2' ' CE3' ' A' ' 38' ' ' TRP . 7.5 mpt_? -68.43 -60.45 2.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -38.73 -26.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.495 ' N ' ' O ' ' A' ' 40' ' ' ARG . 46.9 t -76.01 -52.95 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 42' ' ' VAL . 30.1 mtp180 -34.71 -45.02 0.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -70.34 -54.2 13.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.951 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.465 ' HB3' ' CD1' ' A' ' 28' ' ' ILE . 57.5 mmtt -58.06 -61.87 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.882 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.5 p -61.66 -10.5 8.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.833 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 51.4 t30 51.4 33.29 9.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.4 HD11 ' CD1' ' A' ' 56' ' ' ILE . 41.3 mt -119.1 155.48 53.24 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.635 0.731 . . . . 0.0 110.945 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 155.23 66.65 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.683 2.256 . . . . 0.0 112.388 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.456 HD23 ' ND2' ' A' ' 54' ' ' ASN . 3.1 tm? -46.22 -51.15 14.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.4 t -51.92 -26.27 9.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.17 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -86.91 -41.44 13.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.465 HD13 ' N ' ' A' ' 53' ' ' ILE . 1.7 mp -65.72 -31.88 55.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.174 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.456 ' ND2' HD23 ' A' ' 50' ' ' LEU . 1.1 m-80 -69.39 -52.72 24.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.928 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.466 ' HG3' ' N ' ' A' ' 56' ' ' ILE . 16.0 ptpt -65.73 -39.93 91.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.466 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 23.0 mt -67.25 -55.63 16.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.161 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.443 HD13 ' CE1' ' A' ' 80' ' ' TYR . 28.5 mt -49.88 -40.07 41.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 59' ' ' ASN . 6.3 tptp -73.02 -59.89 2.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.888 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 58' ' ' LYS . 15.1 m-80 -35.02 -53.78 0.58 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 86.7 mt -53.96 -47.29 71.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.925 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 58' ' ' LYS . 76.7 mt-10 -55.02 -15.79 2.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t -91.34 -27.43 18.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.5 mttm -87.5 14.02 9.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 53.4 mttt 57.41 30.56 18.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.555 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 35.0 mt -95.13 -40.35 9.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.424 HD13 ' CD1' ' A' ' 29' ' ' ILE . 31.7 pt -138.55 176.24 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.084 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.3 pttt -148.83 164.1 35.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -96.9 120.89 38.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.093 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 94.9 t -124.94 150.49 29.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.137 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.3 tttm -117.73 129.36 55.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.961 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 10.8 p -66.37 161.27 22.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.865 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.407 HG13 ' N ' ' A' ' 73' ' ' ALA . 2.9 p -49.41 -34.65 8.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.104 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.407 ' N ' HG13 ' A' ' 72' ' ' VAL . . . -55.79 136.7 50.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.09 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -89.28 43.78 1.17 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.8 m -105.76 141.25 37.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.1 tppt? -60.58 92.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 40.8 mtmt -143.66 179.97 6.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.906 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -155.87 108.77 2.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 5.9 t -100.16 146.52 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.171 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.443 ' CE1' HD13 ' A' ' 57' ' ' LEU . 90.5 m-85 -124.42 122.83 38.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.983 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.407 ' O ' ' C ' ' A' ' 82' ' ' LEU . 12.6 ptp -135.93 157.17 47.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.411 ' HB2' ' CD1' ' A' ' 85' ' ' LEU . 25.0 mt -37.5 149.86 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -83.47 -25.01 31.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -65.83 -36.72 84.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.937 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.411 ' CD1' ' HB2' ' A' ' 82' ' ' LEU . 14.6 mt -55.81 151.12 11.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 58.4 m -82.74 -33.9 27.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 89.91 -158.18 26.84 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.504 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 148.76 65.9 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.678 2.252 . . . . 0.0 112.402 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.8 m -107.95 174.11 6.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 31.8 m -85.69 172.06 11.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.837 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.475 -179.947 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -52.59 -44.95 66.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.891 0.377 . . . . 0.0 110.844 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.0 p -90.08 -56.7 3.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.56 -173.13 36.69 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.48 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.4 p -152.84 139.98 19.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.859 0.361 . . . . 0.0 110.876 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.6 p -78.43 -16.94 57.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.63 138.74 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.501 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -164.3 120.57 1.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.785 0.326 . . . . 0.0 110.864 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.9 t -92.98 44.28 1.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.85 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 41.2 mm-40 -94.48 120.03 34.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 34.4 t30 -173.04 173.26 3.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.842 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.25 -43.31 74.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.087 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 147.89 41.98 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.459 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.2 146.61 32.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.791 0.329 . . . . 0.0 110.866 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 16.5 mmm -84.11 55.36 3.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.4 mttt 50.52 46.71 25.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 110.93 177.19 20.55 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.469 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.3 t -70.74 100.65 1.92 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.876 0.369 . . . . 0.0 110.862 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -155.09 109.26 2.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.911 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -103.49 -24.49 13.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -57.58 -35.8 70.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -61.17 -17.12 51.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.444 ' HG2' ' N ' ' A' ' 24' ' ' LEU . 6.6 pttp -82.79 -34.45 27.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.444 ' N ' ' HG2' ' A' ' 23' ' ' LYS . 38.5 tp -76.6 -26.66 55.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.958 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.4 HG23 ' CB ' ' A' ' 46' ' ' SER . 60.1 t -82.93 -32.41 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.163 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.406 ' CE1' ' HB3' ' A' ' 65' ' ' LEU . 37.6 t80 -70.88 -30.64 67.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.937 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -72.56 -24.43 61.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.972 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.469 HD13 ' N ' ' A' ' 46' ' ' SER . 29.9 mt -79.38 -42.56 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.089 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 42.7 mt -60.24 -42.2 89.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.136 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -68.95 -28.43 66.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -69.69 -33.69 72.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.95 -36.83 75.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.096 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.74 -165.45 42.16 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.497 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -47.64 -49.83 26.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.895 0.379 . . . . 0.0 110.942 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.5 mtpp -47.3 -31.4 3.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.4 -167.75 50.93 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.472 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.463 ' CD1' HG21 ' A' ' 42' ' ' VAL . 17.3 tt -146.88 147.96 17.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.826 0.346 . . . . 0.0 111.109 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.451 ' O ' ' C ' ' A' ' 39' ' ' SER . 3.6 t90 -79.76 127.27 32.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.945 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.453 ' HB3' ' CD1' ' A' ' 57' ' ' LEU . 0.7 OUTLIER -34.5 -38.79 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 -179.785 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.426 ' O ' ' CE1' ' A' ' 44' ' ' TYR . 44.2 mtp180 -73.03 -49.54 28.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.864 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 38' ' ' TRP . 1.9 m-20 -45.14 -22.92 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.463 HG21 ' CD1' ' A' ' 37' ' ' ILE . 96.2 t -79.51 -47.28 22.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.4 mtm180 -37.67 -39.84 0.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.426 ' CE1' ' O ' ' A' ' 40' ' ' ARG . 1.1 m-85 -74.93 -58.47 3.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.969 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.69 -58.97 5.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.861 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.469 ' N ' HD13 ' A' ' 28' ' ' ILE . 64.6 p -63.89 -20.17 65.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 61.58 29.48 18.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 74.4 mt -114.63 154.06 46.72 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.66 0.743 . . . . 0.0 110.906 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 156.0 64.6 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.681 2.254 . . . . 0.0 112.405 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.473 ' CD1' ' C ' ' A' ' 50' ' ' LEU . 1.4 tm? -45.19 -51.87 10.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.933 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.8 t -50.97 -27.95 8.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.132 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -85.57 -41.18 15.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.43 ' CG2' HD12 ' A' ' 57' ' ' LEU . 1.7 mp -67.81 -30.73 49.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.469 ' ND2' HD12 ' A' ' 50' ' ' LEU . 12.3 m-20 -71.66 -49.36 40.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -69.46 -37.37 77.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 49.1 mt -70.1 -52.98 25.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.145 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.555 HD13 ' CD2' ' A' ' 80' ' ' TYR . 15.4 mt -51.56 -44.82 62.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 61' ' ' GLU . 0.4 OUTLIER -68.52 -60.88 2.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 179.845 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 58' ' ' LYS . 27.7 m-20 -35.1 -47.9 0.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 84.7 mt -59.28 -46.4 88.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.959 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 58' ' ' LYS . 26.6 mt-10 -55.84 -14.67 2.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 t -93.71 -26.2 17.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.6 mttm -90.2 15.9 9.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.878 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 52.8 mttt 54.73 33.22 19.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.42 ' C ' HG21 ' A' ' 66' ' ' ILE . 39.4 mt -97.98 -41.28 8.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.42 HG21 ' C ' ' A' ' 65' ' ' LEU . 19.1 pt -135.72 178.2 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.162 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 36.2 pttt -155.36 162.93 40.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -95.55 128.12 42.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.102 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 75.8 t -124.75 153.63 31.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.133 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.3 tptt -109.97 96.47 6.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 49.2 m -68.11 132.44 47.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.0 p -39.1 116.21 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -171.35 175.52 4.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.145 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -97.43 -50.01 4.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.139 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.5 m -72.18 165.99 23.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.855 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 51.1 mmtt -84.37 131.93 34.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.911 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? -149.64 175.1 11.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.9 tppt? -144.67 106.83 4.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.907 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 24.1 t -100.09 132.09 46.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.155 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.555 ' CD2' HD13 ' A' ' 57' ' ' LEU . 78.8 m-85 -111.36 127.88 55.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 15.0 ptp -139.0 -178.75 5.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.887 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 16.6 mt -61.48 138.0 58.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.921 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -72.44 -17.92 61.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 -71.19 -39.39 71.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.931 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 43.9 mt -58.1 166.37 1.59 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 82.0 p -99.85 -14.47 18.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 91.16 -156.75 24.48 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.508 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 164.06 35.94 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.672 2.248 . . . . 0.0 112.363 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.2 t -77.88 -55.8 5.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.849 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 36.7 t -72.53 112.35 8.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.827 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.517 -179.991 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.9 p -163.79 122.41 1.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.844 0.354 . . . . 0.0 110.854 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.7 m -152.22 156.69 40.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.87 -170.51 40.19 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.495 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -166.89 137.45 3.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.865 0.364 . . . . 0.0 110.86 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.5 m -52.93 -46.79 68.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.849 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.21 -177.73 47.09 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.515 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -110.48 -54.28 2.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.82 0.343 . . . . 0.0 110.88 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.3 m -131.14 112.75 13.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.842 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -142.79 130.51 21.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 15.7 p-10 -174.83 147.36 0.99 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.71 -43.24 63.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 106.57 44.44 1.33 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.445 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.0 tttm -102.57 155.34 18.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.79 0.329 . . . . 0.0 110.874 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 16.7 ptm -39.71 138.7 0.71 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.0 tptt -162.41 122.98 2.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -151.61 47.47 0.57 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.444 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 m 41.39 46.01 2.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.87 0.367 . . . . 0.0 110.88 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -147.17 135.05 21.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -115.53 -18.88 10.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -61.81 -44.58 96.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.9 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -70.46 -22.11 62.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.854 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.1 mttm -82.02 -40.39 22.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 58.5 tp -66.01 -30.78 71.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 38.4 t -80.07 -38.92 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.097 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -65.75 -28.13 68.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -75.5 -28.45 59.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.866 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 43.8 mt -76.24 -42.73 37.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.1 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.419 ' CG2' ' O ' ' A' ' 80' ' ' TYR . 72.7 mt -61.21 -47.29 94.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.474 ' C ' ' CD ' ' A' ' 30' ' ' GLU . 0.5 OUTLIER -61.56 -29.49 70.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -69.5 -34.65 74.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.841 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.88 -32.76 63.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.106 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.73 -174.65 44.74 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.524 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.411 ' O ' ' CE ' ' A' ' 81' ' ' MET . 5.5 p30 -47.71 -36.47 11.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.849 0.357 . . . . 0.0 110.891 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 36.7 mttm -53.48 -41.44 66.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.408 ' HA3' ' CG1' ' A' ' 79' ' ' VAL . . . 96.64 -169.83 26.2 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.495 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.8 tt -147.21 151.03 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.855 0.36 . . . . 0.0 111.104 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.568 ' CZ3' ' HD3' ' A' ' 40' ' ' ARG . 3.7 t90 -87.57 130.5 34.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.962 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 38' ' ' TRP . 1.4 t -34.57 -39.01 0.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.852 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.568 ' HD3' ' CZ3' ' A' ' 38' ' ' TRP . 31.4 mtp180 -64.31 -65.11 0.72 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 40' ' ' ARG . 0.9 OUTLIER -36.75 -29.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.5 ' N ' ' O ' ' A' ' 40' ' ' ARG . 96.3 t -71.54 -54.58 16.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.133 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.427 HH22 ' NE ' ' A' ' 40' ' ' ARG . 41.6 mtm-85 -35.73 -44.75 0.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -70.95 -57.9 4.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.96 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 42.9 mmtt -54.0 -61.28 2.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.91 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 58.5 p -62.41 -15.6 50.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 59.5 t30 56.24 27.69 12.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.418 ' HB3' ' CB ' ' A' ' 52' ' ' GLU . 63.7 mt -111.01 156.13 41.37 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.633 0.73 . . . . 0.0 110.936 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 161.27 46.57 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.682 2.255 . . . . 0.0 112.372 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.444 HD12 ' ND2' ' A' ' 54' ' ' ASN . 3.0 tm? -49.17 -51.07 34.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.901 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.5 t -54.45 -24.26 19.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.465 ' O ' ' CD1' ' A' ' 56' ' ' ILE . 37.0 mm-40 -86.48 -42.38 13.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.418 HD13 ' N ' ' A' ' 53' ' ' ILE . 1.7 mp -68.23 -32.26 55.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.169 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.444 ' ND2' HD12 ' A' ' 50' ' ' LEU . 1.2 m-80 -70.92 -51.43 26.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.0 ptmm? -64.94 -43.26 93.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.465 ' CD1' ' O ' ' A' ' 52' ' ' GLU . 34.7 mt -65.32 -57.9 9.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.134 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.5 HD13 ' CE1' ' A' ' 80' ' ' TYR . 22.2 mt -46.43 -33.32 3.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 61' ' ' GLU . 29.7 tttt -77.72 -59.23 2.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.832 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 58' ' ' LYS . 1.7 m-80 -36.85 -51.5 0.9 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.909 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.467 HD21 ' CD1' ' A' ' 65' ' ' LEU . 66.2 mt -61.13 -37.64 83.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.966 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 58' ' ' LYS . 34.3 mt-10 -66.01 -20.92 66.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.7 t -96.08 -29.73 13.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.901 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.5 mtpp -83.47 18.59 1.8 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.889 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 26.5 mttp 54.96 31.78 16.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.894 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.467 ' CD1' HD21 ' A' ' 60' ' ' LEU . 47.0 mt -99.44 -31.59 11.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.443 HG12 ' CB ' ' A' ' 60' ' ' LEU . 20.7 pt -147.08 -177.47 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.138 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.435 ' HE3' ' CG2' ' A' ' 69' ' ' VAL . 34.2 pttt -159.17 164.59 35.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -95.95 124.81 40.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.098 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.435 ' CG2' ' HE3' ' A' ' 67' ' ' LYS . 40.7 t -126.92 151.25 33.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.5 tttt -128.93 97.3 4.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.1 t -60.74 163.63 5.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.824 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.2 p -57.11 -30.74 35.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.078 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -90.69 37.16 0.91 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.076 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -134.03 124.01 25.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.2 t -106.27 -60.03 1.71 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 15.0 tptp -128.28 66.13 1.38 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.958 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.1 mtmm -140.05 -175.7 4.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.4 tptt -151.02 104.98 3.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.94 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.408 ' CG1' ' HA3' ' A' ' 36' ' ' GLY . 19.6 t -95.5 136.75 25.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.112 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.5 ' CE1' HD13 ' A' ' 57' ' ' LEU . 97.0 m-85 -117.62 116.24 26.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.926 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.411 ' CE ' ' O ' ' A' ' 34' ' ' ASN . 14.9 ptp -127.13 176.24 7.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.839 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 12.4 mt -56.6 142.53 39.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -77.59 -32.58 53.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -67.15 -27.29 67.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.858 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.1 mp -76.43 148.43 37.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.4 p -100.71 156.27 17.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -149.43 -158.38 8.09 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.484 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 146.63 61.24 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.684 2.256 . . . . 0.0 112.392 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 60.1 p -90.38 132.97 35.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.846 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.6 t -132.59 105.85 7.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.498 -179.98 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -164.76 177.44 7.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.859 0.361 . . . . 0.0 110.856 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.2 t -162.31 168.6 21.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.842 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.85 93.68 1.86 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.508 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.2 p -130.08 85.13 2.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.855 0.359 . . . . 0.0 110.828 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.3 p 43.66 41.55 3.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.85 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.93 96.25 0.17 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.517 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -147.76 129.48 15.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.838 0.351 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 t -119.93 121.58 39.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.41 ' O ' ' CG ' ' A' ' 11' ' ' ASN . 7.3 pt20 -83.49 120.94 26.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.929 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.41 ' CG ' ' O ' ' A' ' 10' ' ' GLN . 50.2 m-80 -167.58 125.25 1.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -93.08 -40.15 10.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.082 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 98.89 -61.34 0.82 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.549 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 15' ' ' MET . 33.7 mttp -116.55 162.38 17.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.729 0.3 . . . . 0.0 110.931 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.442 ' C ' ' O ' ' A' ' 14' ' ' LYS . 23.8 ttm -34.53 -58.03 0.5 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.853 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -174.11 138.74 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 63.98 -154.5 46.67 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.52 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 63.5 p -111.29 -55.33 2.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.889 0.376 . . . . 0.0 110.893 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -52.04 173.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.832 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -120.58 83.09 2.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -100.71 -61.07 1.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -56.77 -24.59 51.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 50.8 mttt -82.14 -52.22 7.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 39.3 tp -52.94 -36.42 59.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 91.4 t -74.42 -53.34 17.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.115 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -53.38 -35.5 60.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -68.75 -22.52 64.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 44.8 mt -86.3 -35.46 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 55.2 mt -64.2 -48.35 86.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.134 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.69 -26.73 68.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.902 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -67.61 -36.93 81.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.86 -37.56 63.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.51 -159.56 23.25 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.482 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.03 -41.03 97.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.836 0.351 . . . . 0.0 110.837 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp -47.23 -49.65 22.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 110.12 -171.52 14.93 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.438 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.0 tt -150.08 147.24 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.808 0.337 . . . . 0.0 111.111 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.492 ' CE3' ' HD2' ' A' ' 40' ' ' ARG . 4.9 t90 -87.09 134.29 33.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 57.6 p -38.69 -38.43 0.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.86 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.492 ' HD2' ' CE3' ' A' ' 38' ' ' TRP . 47.0 mtt-85 -65.44 -55.47 17.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -38.77 -33.76 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.436 ' O ' ' C ' ' A' ' 43' ' ' ARG . 43.4 t -67.94 -55.63 15.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 42' ' ' VAL . 18.5 mtp180 -34.11 -47.61 0.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -69.99 -60.97 1.97 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -54.07 -63.17 1.24 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.893 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 77.7 p -57.58 -27.75 62.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 31.8 t-20 68.25 29.0 6.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 33.6 mt -115.21 157.43 43.73 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.627 0.727 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 155.6 65.55 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.7 2.267 . . . . 0.0 112.338 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.484 ' CD1' ' ND2' ' A' ' 54' ' ' ASN . 1.7 tm? -48.43 -45.85 36.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.945 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.4 t -56.55 -24.4 46.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.133 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -87.98 -45.54 10.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.472 ' CG2' HD13 ' A' ' 57' ' ' LEU . 1.8 mp -63.78 -35.03 71.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.126 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.484 ' ND2' ' CD1' ' A' ' 50' ' ' LEU . 15.0 m-20 -67.21 -52.67 38.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.445 ' HG3' ' N ' ' A' ' 56' ' ' ILE . 7.2 pttp -66.7 -34.75 78.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.445 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 48.5 mt -71.99 -54.23 17.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.092 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.569 ' CD1' ' CE2' ' A' ' 80' ' ' TYR . 17.8 mt -49.61 -45.05 47.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 59' ' ' ASN . 4.3 tptm -67.96 -59.12 3.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.966 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 58' ' ' LYS . 26.5 m-20 -35.25 -54.88 0.63 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.424 ' CB ' HG12 ' A' ' 66' ' ' ILE . 33.5 mt -54.35 -49.04 70.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.486 ' OE2' ' N ' ' A' ' 68' ' ' ALA . 36.3 mt-10 -52.38 -21.51 3.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.5 t -92.39 -26.71 17.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -85.79 14.18 6.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp 57.22 38.73 28.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.951 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 36.1 mt -108.41 -35.29 6.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.424 HG12 ' CB ' ' A' ' 60' ' ' LEU . 19.1 pt -140.91 176.2 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.136 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 46.7 pttt -155.71 155.37 33.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.486 ' N ' ' OE2' ' A' ' 61' ' ' GLU . . . -85.59 132.68 34.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.051 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 53.9 t -126.39 147.19 31.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.088 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.6 tptt -112.31 95.26 5.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 91.5 p -74.3 145.86 43.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.4 p -52.76 115.42 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.145 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -167.61 163.54 14.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.11 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -104.83 40.06 1.57 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.112 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.7 m -149.35 163.89 36.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp -93.89 130.0 40.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.939 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -169.08 163.74 11.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -122.18 100.18 6.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.921 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 25.3 t -87.59 138.62 18.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.171 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.569 ' CE2' ' CD1' ' A' ' 57' ' ' LEU . 94.5 m-85 -118.43 150.95 38.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.963 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 8.3 ptp -161.18 175.77 11.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.462 ' HB2' ' CD1' ' A' ' 85' ' ' LEU . 14.3 mt -59.52 139.15 57.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -73.75 -33.18 64.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -66.02 -40.17 90.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.856 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.462 ' CD1' ' HB2' ' A' ' 82' ' ' LEU . 94.7 mt -54.09 140.33 32.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.935 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.4 m -81.31 113.84 19.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.823 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -117.34 -158.76 11.19 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.491 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 110.82 2.65 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.697 2.264 . . . . 0.0 112.313 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 49.0 m -75.52 92.72 2.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.9 t -130.08 78.95 1.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.525 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.5 t -173.24 147.98 1.61 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.844 0.354 . . . . 0.0 110.877 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 t -165.41 175.97 8.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.27 152.9 6.24 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.518 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -165.49 175.06 9.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.87 0.367 . . . . 0.0 110.846 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.7 p -163.04 170.04 18.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.841 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.09 152.48 24.63 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -150.42 135.29 17.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.846 0.355 . . . . 0.0 110.851 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.4 p -153.07 111.62 3.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -155.31 159.93 40.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.924 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 -83.62 142.96 30.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -97.83 4.95 49.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.97 68.59 2.99 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.499 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.0 mmtt -107.81 149.41 28.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.79 0.328 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.446 ' O ' ' C ' ' A' ' 16' ' ' LYS . 5.6 tmm? -66.42 92.18 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.894 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.472 ' HE2' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -34.79 151.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 121.71 113.4 2.24 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.491 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 86.4 p -98.98 42.52 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.851 0.358 . . . . 0.0 110.826 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -123.78 149.94 45.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -102.58 -26.87 13.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.938 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -63.47 -46.84 84.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -66.72 -19.83 65.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.9 mtpp -82.5 -57.97 3.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 38.7 tp -47.6 -34.22 7.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.2 t -75.13 -42.51 44.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.146 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.44 ' CE1' ' HB3' ' A' ' 65' ' ' LEU . 60.8 t80 -62.68 -34.03 76.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -70.89 -25.17 62.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.456 HD13 ' CB ' ' A' ' 45' ' ' LYS . 22.8 mt -82.58 -28.78 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.133 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 91.6 mt -72.57 -47.41 51.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.115 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -65.34 -23.83 67.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -69.2 -37.41 78.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.841 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.75 -36.82 72.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.083 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.36 -165.53 37.42 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.478 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -51.19 -42.27 60.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.916 0.389 . . . . 0.0 110.883 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.3 ptpt -51.24 -19.95 1.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.882 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.47 -177.12 37.37 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.51 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.417 HG12 ' N ' ' A' ' 38' ' ' TRP . 13.5 tt -141.05 154.77 21.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.779 0.323 . . . . 0.0 111.154 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.444 ' O ' ' N ' ' A' ' 40' ' ' ARG . 6.2 t90 -89.06 125.78 35.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 38' ' ' TRP . 1.5 t -35.38 -34.56 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 38' ' ' TRP . 15.4 mtp85 -67.53 -58.61 4.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -38.35 -31.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.447 ' O ' ' C ' ' A' ' 43' ' ' ARG . 21.6 t -69.55 -53.9 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 43' ' ' ARG . 7.1 mtp-105 -34.7 -45.45 0.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -72.58 -55.18 7.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.456 ' CB ' HD13 ' A' ' 28' ' ' ILE . 57.3 mmtt -57.11 -62.9 1.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.875 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 78.8 p -62.38 -9.52 8.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.843 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 27.4 m-20 50.06 34.97 9.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.8 mt -118.3 156.53 50.71 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.655 0.74 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 156.73 62.47 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.687 2.258 . . . . 0.0 112.324 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.448 HD13 ' ND2' ' A' ' 54' ' ' ASN . 3.5 tm? -48.16 -47.35 35.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.859 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.1 t -56.33 -23.86 39.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.177 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.445 ' O ' ' CD1' ' A' ' 56' ' ' ILE . 36.8 mm-40 -87.42 -39.63 15.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.407 HD12 ' N ' ' A' ' 53' ' ' ILE . 1.7 mp -70.55 -31.23 45.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.187 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.448 ' ND2' HD13 ' A' ' 50' ' ' LEU . 1.2 m-80 -72.88 -47.86 42.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.881 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.89 -35.97 72.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.445 ' CD1' ' O ' ' A' ' 52' ' ' GLU . 44.3 mt -72.01 -54.07 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.128 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.56 HD13 ' CE1' ' A' ' 80' ' ' TYR . 21.3 mt -50.22 -41.99 50.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.479 ' O ' ' N ' ' A' ' 61' ' ' GLU . 30.9 tttp -66.78 -62.78 1.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 58' ' ' LYS . 2.3 m-80 -35.05 -49.61 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.898 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 48.4 mt -59.15 -43.97 92.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.502 ' OE2' ' CE2' ' A' ' 80' ' ' TYR . 17.3 mt-10 -61.86 -15.37 41.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.8 t -96.41 -26.64 15.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.1 mttm -85.92 5.17 34.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm 69.19 25.55 5.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.44 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 18.9 mt -92.27 -31.69 15.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.93 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 35.0 pt -148.2 -177.87 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.7 pttp -153.43 165.36 36.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -98.8 124.77 43.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.451 ' CG1' ' N ' ' A' ' 70' ' ' LYS . 30.9 t -124.92 154.85 33.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.172 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.47 ' CE ' ' O ' ' A' ' 77' ' ' LYS . 3.5 tppp? -127.26 132.15 50.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.3 t -109.67 159.97 16.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.861 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.2 p -47.14 122.76 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.448 ' CB ' ' HE2' ' A' ' 77' ' ' LYS . . . -174.67 170.92 3.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.099 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.6 -73.22 0.42 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.115 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 41.4 p -57.73 -178.3 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -112.02 106.09 14.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.958 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.47 ' O ' ' CE ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -109.42 -175.88 2.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.882 179.897 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.56 105.44 4.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.906 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.432 HG11 ' N ' ' A' ' 80' ' ' TYR . 5.7 t -97.0 149.5 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.158 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.56 ' CE1' HD13 ' A' ' 57' ' ' LEU . 81.8 m-85 -124.34 146.47 48.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 10.9 ptp -158.61 172.65 17.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.833 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 29.9 mt -54.9 135.16 48.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -62.28 -40.55 96.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 66.3 m-20 -61.86 -36.18 80.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.0 mp -67.7 -175.46 0.53 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 51.8 m -154.37 164.18 39.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.817 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -159.31 -158.49 9.14 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.475 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 109.11 2.24 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.644 2.23 . . . . 0.0 112.327 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 90' ' ' SER . 9.8 m -71.19 -21.68 62.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 89' ' ' SER . 44.1 m 37.15 48.5 0.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.838 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.478 179.983 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.3 p -118.4 44.29 2.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.891 0.377 . . . . 0.0 110.843 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.2 p 39.03 43.55 0.8 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.82 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.64 79.07 0.72 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.457 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.1 t -108.09 125.04 51.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.848 0.356 . . . . 0.0 110.868 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.9 p -140.63 172.64 12.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.07 80.22 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.505 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.6 p-10 -131.77 167.58 19.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.797 0.332 . . . . 0.0 110.848 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.0 m -159.14 151.58 21.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 24.3 mp0 -71.09 127.15 31.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -133.27 82.79 2.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.7 -43.19 13.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.089 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 132.91 80.12 0.17 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.508 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.1 mmmt -75.74 125.29 28.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.759 0.314 . . . . 0.0 110.958 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 9.0 mmt -74.92 84.52 2.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.866 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -75.37 173.51 10.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 138.33 168.77 11.4 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.485 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.8 p -90.85 -17.34 26.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.857 0.36 . . . . 0.0 110.8 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -120.94 160.71 22.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 29.8 p30 -111.82 40.18 2.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.874 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -97.45 -60.11 1.64 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -54.38 -15.73 1.82 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.7 pttp -91.78 -38.43 12.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 66.5 tp -66.31 -34.82 78.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.964 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.9 t -71.5 -51.34 33.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.113 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.461 ' CE1' ' HB3' ' A' ' 65' ' ' LEU . 71.2 t80 -57.27 -40.1 77.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.962 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.481 ' NE2' ' O ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -59.65 -28.47 67.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.895 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 25.2 mt -82.49 -42.7 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 57.7 mt -58.44 -43.4 86.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.148 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.57 -28.27 67.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -67.99 -37.7 81.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.32 -38.4 68.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.63 -172.57 41.0 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -46.39 -41.55 13.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.955 0.407 . . . . 0.0 110.905 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.9 mtmp? -50.18 -35.62 27.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 89.08 -170.67 37.94 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.475 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.418 ' CD1' HG23 ' A' ' 42' ' ' VAL . 15.4 tt -149.85 150.1 14.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.82 0.343 . . . . 0.0 111.161 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.5 ' CZ3' ' HD3' ' A' ' 40' ' ' ARG . 11.6 t90 -80.99 128.66 33.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.8 t -38.35 -40.61 0.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.5 ' HD3' ' CZ3' ' A' ' 38' ' ' TRP . 21.9 ttt180 -67.87 -53.41 26.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.861 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -45.04 -28.97 0.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.428 ' O ' ' C ' ' A' ' 43' ' ' ARG . 48.4 t -72.1 -51.31 31.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 42' ' ' VAL . 22.2 mtm180 -35.82 -47.69 0.52 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.87 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -68.83 -44.66 72.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 42' ' ' VAL . 32.7 mmtm -59.33 -59.06 6.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.923 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.9 m -73.07 -19.17 61.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 65.3 t30 64.97 32.03 10.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 38.1 mt -111.4 157.19 39.79 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.647 0.737 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 155.21 66.51 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.674 2.249 . . . . 0.0 112.331 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.468 HD12 ' ND2' ' A' ' 54' ' ' ASN . 1.2 tm? -47.69 -47.31 29.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.3 t -54.02 -25.55 21.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -86.79 -46.99 9.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.431 HG22 ' CD1' ' A' ' 57' ' ' LEU . 1.6 mp -63.78 -29.73 48.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.073 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.468 ' ND2' HD12 ' A' ' 50' ' ' LEU . 9.1 m-20 -73.94 -50.18 21.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -68.49 -37.21 79.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 43.6 mt -70.92 -55.46 14.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.133 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.458 HD12 ' CE2' ' A' ' 80' ' ' TYR . 23.5 mt -46.06 -36.89 6.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 61' ' ' GLU . 7.5 tmtm? -78.56 -59.62 2.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 58' ' ' LYS . 28.0 m-20 -35.17 -47.84 0.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 50.3 mt -60.8 -47.64 85.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 58' ' ' LYS . 26.5 mt-10 -49.56 -20.11 0.7 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t -89.22 -27.86 20.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.839 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 28.1 mttt -86.45 15.56 5.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.835 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.0 mttm 54.46 30.11 12.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.876 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.461 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 39.3 mt -96.36 -34.94 11.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 16.6 pt -142.99 173.28 6.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.148 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 43.9 pttt -151.22 164.32 36.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -97.01 125.28 41.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.059 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 69.9 t -126.91 150.86 33.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.0 tmtt? -111.54 132.71 54.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 77.3 p -115.91 134.75 54.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.838 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.8 p -41.89 118.69 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.115 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -168.15 138.6 2.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.098 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.45 -45.19 62.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.2 t -95.55 128.05 42.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.822 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.5 mmtp -59.59 134.69 57.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 19.8 mtmt -144.7 158.56 43.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.893 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.81 101.41 8.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.965 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 7.4 t -92.51 144.04 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.168 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.458 ' CE2' HD12 ' A' ' 57' ' ' LEU . 79.0 m-85 -122.19 125.47 46.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.971 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.437 ' O ' ' C ' ' A' ' 82' ' ' LEU . 13.3 ptp -139.63 153.01 47.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 81' ' ' MET . 10.6 mt -34.6 151.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -78.79 -42.88 26.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 56.6 m-20 -63.12 -36.12 82.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 11.0 mp -70.38 119.22 14.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 32.9 t -66.76 166.05 13.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -157.84 -176.43 29.88 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.482 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 1.93 3.99 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.683 2.255 . . . . 0.0 112.329 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.0 t -54.02 116.19 2.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.811 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.6 m -76.05 120.66 21.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.823 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.458 -179.965 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.8 p -160.42 135.93 8.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.863 0.363 . . . . 0.0 110.83 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -135.22 177.73 7.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.14 157.34 27.17 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.501 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -158.07 175.75 13.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.909 0.385 . . . . 0.0 110.835 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.8 p -134.68 155.06 51.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.881 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.19 171.44 38.52 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.469 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -160.56 153.76 21.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.827 0.346 . . . . 0.0 110.895 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.1 m -154.96 150.28 27.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -150.64 124.95 9.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -130.96 97.86 4.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -99.46 -44.14 6.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.112 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 91.63 98.44 1.29 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.48 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.7 ttpt -97.93 155.74 16.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.786 0.327 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.7 tmm? -87.84 98.16 11.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.8 mtpp -143.34 156.85 44.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -155.77 -170.2 20.9 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.512 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.5 m -71.29 -62.61 1.34 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.893 0.378 . . . . 0.0 110.843 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -86.97 148.48 25.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.401 ' O ' ' CB ' ' A' ' 24' ' ' LEU . 2.3 m120 -109.42 44.54 1.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -93.64 -44.36 8.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -73.37 -26.25 60.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.432 ' HG3' ' N ' ' A' ' 24' ' ' LEU . 14.1 ptmt -88.83 -41.67 12.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.432 ' N ' ' HG3' ' A' ' 23' ' ' LYS . 54.8 tp -59.16 -24.3 62.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.93 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 95.4 t -87.06 -50.12 14.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.15 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.454 ' CE1' ' HB3' ' A' ' 65' ' ' LEU . 89.4 t80 -56.56 -35.03 67.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 -65.1 -34.93 79.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.417 HD12 ' CB ' ' A' ' 45' ' ' LYS . 22.7 mt -77.33 -35.45 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.11 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 94.8 mt -63.77 -48.68 85.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.185 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -63.04 -31.9 73.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -62.82 -39.56 94.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.5 -35.09 60.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.064 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.49 -178.54 47.51 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.528 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -42.75 -37.27 1.7 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.922 0.391 . . . . 0.0 110.9 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 45.5 mtmt -53.24 -41.17 65.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 94.19 -173.01 32.56 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.519 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.0 tt -147.84 151.97 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.836 0.351 . . . . 0.0 111.072 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.563 ' CZ2' ' HG2' ' A' ' 77' ' ' LYS . 2.8 t90 -81.34 133.13 35.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.4 t -39.06 -45.08 1.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.545 ' HD3' ' CZ3' ' A' ' 38' ' ' TRP . 39.2 mtp180 -63.42 -59.84 4.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.873 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 40' ' ' ARG . 1.9 m-20 -34.81 -34.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.859 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.461 ' N ' ' O ' ' A' ' 40' ' ' ARG . 90.1 t -69.96 -52.82 27.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.139 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 42' ' ' VAL . 30.7 mtm180 -34.15 -46.76 0.26 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -70.45 -57.3 4.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.963 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.417 ' CB ' HD12 ' A' ' 28' ' ' ILE . 28.3 mmtm -51.51 -60.33 3.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.875 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -63.58 -31.04 72.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.832 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 74.41 27.53 1.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.913 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 33.4 mt -111.38 157.73 38.23 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.568 0.699 . . . . 0.0 110.931 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 155.34 66.18 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.661 2.24 . . . . 0.0 112.366 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.467 ' CD1' ' CG ' ' A' ' 54' ' ' ASN . 0.5 OUTLIER -48.93 -44.28 40.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.6 t -56.79 -24.55 51.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.176 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.45 ' O ' ' CD1' ' A' ' 56' ' ' ILE . 37.4 mm-40 -88.05 -42.8 12.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.452 ' CG2' HD12 ' A' ' 57' ' ' LEU . 1.8 mp -67.04 -36.68 77.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.126 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.467 ' CG ' ' CD1' ' A' ' 50' ' ' LEU . 8.8 m-20 -65.56 -54.4 28.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.99 -43.54 98.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.45 ' CD1' ' O ' ' A' ' 52' ' ' GLU . 35.7 mt -64.45 -58.78 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.47 HD13 ' CE2' ' A' ' 80' ' ' TYR . 23.6 mt -43.5 -41.63 4.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 59' ' ' ASN . 0.8 OUTLIER -74.2 -61.81 1.73 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.847 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 58' ' ' LYS . 15.5 m-80 -35.11 -54.66 0.61 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.432 HD21 ' CD1' ' A' ' 65' ' ' LEU . 70.2 mt -51.55 -47.64 63.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.937 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.491 ' OE2' ' N ' ' A' ' 68' ' ' ALA . 66.1 mt-10 -56.64 -18.33 11.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.81 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 t -89.22 -25.09 21.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.7 mttm -90.5 13.61 15.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 36.2 mmtp 59.75 30.26 19.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.454 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 36.1 mt -95.49 -37.02 11.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 36.8 pt -142.05 177.94 2.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.166 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 30.9 pttt -148.14 163.15 37.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.491 ' N ' ' OE2' ' A' ' 61' ' ' GLU . . . -95.78 118.58 32.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 57.2 t -126.97 155.59 37.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.2 ttmt -128.11 109.33 11.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.8 m -60.61 150.86 30.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.457 HG11 ' N ' ' A' ' 73' ' ' ALA . 5.1 p -45.26 -36.28 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.151 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.457 ' N ' HG11 ' A' ' 72' ' ' VAL . . . -104.88 84.01 2.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.106 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -162.87 136.26 5.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 76' ' ' LYS . 3.3 m -127.15 137.02 52.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 75' ' ' SER . 4.5 mmmm 38.25 38.38 0.21 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.923 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.563 ' HG2' ' CZ2' ' A' ' 38' ' ' TRP . 37.1 mtpt -122.44 -175.24 3.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.71 113.38 2.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.89 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 17.3 t -94.75 144.51 9.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.159 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.47 ' CE2' HD13 ' A' ' 57' ' ' LEU . 88.5 m-85 -122.63 125.1 44.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 12.3 ptp -136.06 -179.96 5.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.875 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.447 ' HB2' ' CB ' ' A' ' 85' ' ' LEU . 9.7 mt -61.81 146.64 48.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -77.31 -54.77 6.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 43.8 t-20 -67.24 -40.29 86.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.851 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.447 ' CB ' ' HB2' ' A' ' 82' ' ' LEU . 1.6 tp -53.43 151.66 5.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.3 t -92.71 125.1 37.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.833 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -117.46 -157.91 10.88 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.53 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 113.78 3.5 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.679 2.253 . . . . 0.0 112.342 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 39.8 t -151.26 150.17 30.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 29.2 t -61.72 -55.45 30.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.849 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.511 -179.972 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.393 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.5 t -85.75 -53.15 5.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.827 0.346 . . . . 0.0 110.896 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.6 m -78.48 167.92 20.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.902 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.28 56.4 0.52 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -57.13 169.15 0.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.869 0.366 . . . . 0.0 110.896 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.3 p -42.2 129.46 3.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.867 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.71 -85.94 0.15 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.47 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -134.12 157.28 46.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.794 0.33 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.2 m -76.97 -178.38 4.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -101.89 -27.97 12.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -172.24 118.85 0.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.24 -43.11 16.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 124.57 92.66 0.97 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.469 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.4 ttmt -110.35 142.66 41.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.72 0.295 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 6.2 ptm -57.14 132.27 52.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -128.26 102.46 6.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -97.12 110.18 3.99 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.502 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.3 p -44.47 -29.57 0.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.906 0.384 . . . . 0.0 110.866 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -101.05 152.74 20.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -95.83 -33.16 12.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.461 ' CG ' HD13 ' A' ' 48' ' ' LEU . 18.0 mp0 -48.6 -51.48 27.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -60.25 -27.23 67.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.5 mtpt -78.11 -57.63 3.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 41.2 tp -51.64 -28.58 14.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 84.7 t -80.8 -43.69 21.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.155 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.433 ' CE1' ' HB3' ' A' ' 65' ' ' LEU . 45.2 t80 -62.88 -26.02 68.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.451 ' NE2' ' OE1' ' A' ' 30' ' ' GLU . 9.7 mm-40 -81.3 -27.11 35.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.465 HD13 ' CB ' ' A' ' 45' ' ' LYS . 37.0 mt -76.18 -30.34 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 70.1 mt -73.45 -42.73 56.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.165 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.451 ' OE1' ' NE2' ' A' ' 27' ' ' GLN . 7.1 pt-20 -68.04 -22.8 64.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -73.36 -40.26 64.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.934 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.44 -29.45 35.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.104 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 85.48 -173.39 47.78 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.529 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -51.5 -35.64 41.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.861 0.362 . . . . 0.0 110.839 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.6 mtmm -52.21 -28.66 19.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 84.21 -176.67 51.71 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.456 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.439 ' CG1' ' HB3' ' A' ' 41' ' ' ASP . 9.7 tt -145.42 149.33 16.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 0.0 111.143 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.535 ' CE3' ' HB2' ' A' ' 40' ' ' ARG . 5.6 t90 -81.71 131.71 35.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 38' ' ' TRP . 83.5 p -37.13 -46.58 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.862 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.535 ' HB2' ' CE3' ' A' ' 38' ' ' TRP . 28.9 mtp180 -61.37 -56.11 23.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.439 ' HB3' ' CG1' ' A' ' 37' ' ' ILE . 2.6 t70 -39.11 -29.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.423 ' N ' ' O ' ' A' ' 40' ' ' ARG . 23.8 t -72.43 -50.34 35.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.467 ' HD2' ' CD2' ' A' ' 50' ' ' LEU . 8.0 mtp-105 -37.91 -47.04 1.02 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -67.92 -54.84 15.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.948 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.465 ' CB ' HD13 ' A' ' 28' ' ' ILE . 30.9 mmtt -55.42 -62.97 1.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.929 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 92.1 p -63.49 -19.62 64.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.818 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 51.4 t30 62.79 27.49 16.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.461 HD13 ' CG ' ' A' ' 21' ' ' GLN . 49.5 mt -112.13 156.51 41.82 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.62 0.724 . . . . 0.0 110.901 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 157.45 60.35 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.703 2.269 . . . . 0.0 112.39 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.467 ' CD2' ' HD2' ' A' ' 43' ' ' ARG . 0.4 OUTLIER -48.13 -48.34 34.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.875 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.4 t -53.5 -25.17 15.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.215 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -87.43 -48.94 7.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.467 ' CG2' HD11 ' A' ' 57' ' ' LEU . 1.7 mp -61.15 -33.71 57.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.466 ' ND2' HD13 ' A' ' 50' ' ' LEU . 11.3 m-20 -68.6 -53.47 22.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 56' ' ' ILE . 17.5 ptpt -65.78 -38.23 88.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.43 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 33.8 mt -68.64 -54.13 22.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.112 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.468 HD13 ' CE1' ' A' ' 80' ' ' TYR . 15.7 mt -51.93 -32.45 33.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.489 ' CE ' ' OE1' ' A' ' 61' ' ' GLU . 1.0 OUTLIER -78.46 -58.95 2.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.839 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -37.81 -41.48 0.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.7 mt -66.99 -46.9 73.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.931 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.499 ' OE2' ' N ' ' A' ' 68' ' ' ALA . 36.0 mt-10 -55.84 -17.69 6.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t -92.48 -29.49 16.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.9 mttm -86.64 14.97 6.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.7 mmtp 56.76 26.56 11.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.894 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.433 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 42.3 mt -90.81 -32.63 16.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.881 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 21.2 pt -145.99 -175.71 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.163 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.4 pttt -158.33 162.33 37.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.499 ' N ' ' OE2' ' A' ' 61' ' ' GLU . . . -100.19 125.94 46.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.079 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 77.4 t -123.49 98.0 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.083 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.4 tmtm? -84.41 94.06 8.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 73' ' ' ALA . 1.3 t -85.97 167.03 15.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.8 p -40.45 95.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.108 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.462 ' HB3' ' CE ' ' A' ' 77' ' ' LYS . . . -166.89 -176.74 3.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.088 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.86 133.31 51.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.086 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.0 m -59.74 -20.19 54.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.837 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -92.84 55.24 2.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.462 ' CE ' ' HB3' ' A' ' 73' ' ' ALA . 43.2 mtmt -156.03 171.62 19.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.968 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -161.1 121.18 2.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.857 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 10.2 t -100.75 143.38 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.086 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.468 ' CE1' HD13 ' A' ' 57' ' ' LEU . 76.4 m-85 -124.91 141.16 52.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.941 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 19.2 ptp -152.11 174.92 13.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 17.9 mt -56.84 137.84 54.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -66.19 -39.3 89.6 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 21.3 t30 -64.73 -30.76 71.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.7 mp -79.86 138.96 37.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 51.0 m -103.1 146.95 27.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -119.19 -164.24 12.67 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.465 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 172.51 12.49 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.706 2.271 . . . . 0.0 112.339 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 51.8 p -73.72 98.99 3.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 80.2 p -110.21 112.12 23.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.881 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.465 -179.965 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.5 m -92.37 -60.2 1.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.868 0.366 . . . . 0.0 110.842 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.4 p -81.08 122.89 27.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.847 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.22 -174.76 15.02 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.482 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.6 p -166.52 172.93 10.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.88 0.371 . . . . 0.0 110.825 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.4 p -170.52 171.39 6.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.822 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.66 -179.01 52.79 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.515 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 63.62 46.52 4.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.794 0.33 . . . . 0.0 110.85 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.2 m -109.7 -49.97 3.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.838 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -133.68 137.07 45.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -116.64 82.67 1.83 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.78 -38.84 16.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.084 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 128.09 -113.39 1.63 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.437 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -120.61 107.82 13.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.806 0.336 . . . . 0.0 110.889 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.9 mmt -148.74 146.1 27.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.882 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.7 mmmm -55.63 109.31 0.54 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 60.68 -175.69 4.64 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 68.2 m -93.12 77.44 4.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.874 0.368 . . . . 0.0 110.83 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -153.65 144.26 22.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.873 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.458 ' CB ' ' HD3' ' A' ' 23' ' ' LYS . 3.4 p-10 -110.02 47.66 0.94 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -98.8 -49.95 4.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.919 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -70.02 -17.32 63.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.458 ' HD3' ' CB ' ' A' ' 20' ' ' ASN . 15.8 ptmt -92.02 -44.27 8.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.447 ' N ' ' HG3' ' A' ' 23' ' ' LYS . 48.2 tp -58.05 -31.2 66.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.2 t -78.31 -41.44 26.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.522 ' CE1' ' HB3' ' A' ' 65' ' ' LEU . 52.8 t80 -60.51 -35.58 76.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -67.5 -31.91 72.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 39.6 mt -73.74 -38.87 52.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.117 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 74.1 mt -63.81 -55.23 23.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.33 -24.73 60.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -69.79 -37.87 76.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.91 -39.26 71.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.55 -173.61 40.56 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.479 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -43.06 -47.62 5.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.88 0.371 . . . . 0.0 110.88 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 56.2 mttm -45.29 -39.89 7.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 92.66 -174.37 36.18 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.515 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.4 tt -144.32 154.31 15.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.818 0.342 . . . . 0.0 111.12 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.547 ' CZ3' ' HD2' ' A' ' 40' ' ' ARG . 6.1 t90 -88.03 129.64 35.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 38' ' ' TRP . 1.9 t -34.91 -46.0 0.29 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.547 ' HD2' ' CZ3' ' A' ' 38' ' ' TRP . 78.0 mtt-85 -60.39 -60.31 4.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 40' ' ' ARG . 10.4 t0 -36.64 -31.43 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.466 ' N ' ' O ' ' A' ' 40' ' ' ARG . 93.4 t -70.96 -54.07 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.084 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 42' ' ' VAL . 13.4 mtm105 -35.47 -49.39 0.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -64.94 -53.76 41.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.966 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.2 mmtt -56.73 -63.12 1.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.912 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 91.8 p -62.04 -25.89 67.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.885 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 68.56 28.9 5.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.416 ' HB2' ' CD1' ' A' ' 53' ' ' ILE . 50.8 mt -112.14 156.6 41.7 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.623 0.725 . . . . 0.0 110.87 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 158.19 57.74 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.703 2.269 . . . . 0.0 112.31 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.43 ' C ' ' CD1' ' A' ' 50' ' ' LEU . 3.2 tm? -49.2 -46.27 45.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.941 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.424 HG21 ' N ' ' A' ' 52' ' ' GLU . 14.6 t -55.9 -22.48 26.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.101 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.424 ' N ' HG21 ' A' ' 51' ' ' THR . 39.8 mm-40 -89.83 -47.13 8.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.433 ' CG2' HD13 ' A' ' 57' ' ' LEU . 1.7 mp -64.63 -25.2 37.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.169 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.418 ' CG ' HD11 ' A' ' 50' ' ' LEU . 9.3 m-20 -75.13 -52.18 11.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.456 ' HG3' ' N ' ' A' ' 56' ' ' ILE . 9.2 pttp -67.92 -35.52 78.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.456 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 43.3 mt -71.73 -54.47 16.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.13 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.494 HD11 ' CE1' ' A' ' 80' ' ' TYR . 26.0 mt -48.58 -44.71 37.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.893 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' A' ' 61' ' ' GLU . 34.6 tttp -71.55 -62.36 1.44 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 55' ' ' LYS . 2.1 m-80 -35.04 -44.39 0.23 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.443 HD23 ' CD1' ' A' ' 65' ' ' LEU . 71.0 mt -62.71 -45.35 93.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 58' ' ' LYS . 47.5 mt-10 -56.98 -19.32 17.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 t -88.85 -28.3 20.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.824 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.9 mttm -86.13 14.44 6.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 33.2 mmtm 57.32 29.45 16.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.911 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.522 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 20.8 mt -93.76 -39.78 10.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.401 ' HA ' ' N ' ' A' ' 83' ' ' TYR . 24.5 pt -138.81 -177.29 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.156 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.5 ptmt -152.2 169.42 22.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -108.76 121.54 45.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.132 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.452 ' CG2' ' HE2' ' A' ' 81' ' ' MET . 97.1 t -125.37 146.4 31.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.087 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -111.29 115.97 30.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.846 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 80.9 p -86.73 142.96 27.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.6 p -53.18 124.07 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.093 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -173.27 170.54 4.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.081 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -96.15 41.32 1.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.097 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 17.9 m -151.14 -179.0 6.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.877 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -122.97 79.11 1.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.465 ' HB3' ' NE1' ' A' ' 38' ' ' TRP . 1.0 OUTLIER -104.34 176.15 5.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.858 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -131.18 106.12 8.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 10.4 t -94.77 144.09 10.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.103 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.494 ' CE1' HD11 ' A' ' 57' ' ' LEU . 95.5 m-85 -126.16 149.23 49.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.978 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.452 ' HE2' ' CG2' ' A' ' 69' ' ' VAL . 10.6 ptp -162.83 170.26 18.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.7 mt -48.19 142.44 5.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.401 ' N ' ' HA ' ' A' ' 66' ' ' ILE . 55.7 t80 -67.65 -43.34 80.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -60.93 -35.84 77.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.8 mp -70.46 144.44 51.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 64.5 m -88.04 -52.42 5.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 103.88 -158.13 17.08 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.464 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 84.57 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.66 2.24 . . . . 0.0 112.35 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.5 t -65.29 123.86 20.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.7 m -129.14 82.35 2.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.471 -179.982 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 t -110.68 -59.56 1.94 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.91 0.386 . . . . 0.0 110.83 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t 65.56 41.91 3.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.832 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.41 159.24 15.06 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.47 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.4 m -136.61 171.62 14.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.884 0.373 . . . . 0.0 110.842 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -141.78 162.98 34.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.69 133.5 1.49 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.508 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -128.68 157.65 40.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.773 0.32 . . . . 0.0 110.859 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.5 m -128.96 153.31 47.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -103.55 -44.94 4.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.935 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -99.95 91.17 4.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -103.0 -42.26 5.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 74.81 -59.03 2.6 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.45 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.5 tmmm? -81.32 129.57 34.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.792 0.329 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 5.1 ppp? -113.03 150.62 31.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.23 164.75 19.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.86 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -163.63 112.19 0.5 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.518 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 95.1 p -85.99 -32.28 21.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.867 0.365 . . . . 0.0 110.851 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.7 152.76 23.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -81.2 -36.99 29.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -41.54 -54.23 3.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.423 ' CD ' HD22 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -58.05 -33.42 69.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.9 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.2 mtpp -73.3 -61.02 1.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 51.3 tp -44.78 -38.94 4.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.434 ' CB ' HG21 ' A' ' 56' ' ' ILE . 47.6 t -68.92 -52.45 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -56.87 -31.68 65.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.422 ' NE2' ' HA ' ' A' ' 27' ' ' GLN . 11.3 mm100 -71.62 -30.47 65.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.902 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.452 HG23 ' CB ' ' A' ' 45' ' ' LYS . 43.4 mt -77.81 -32.25 17.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.155 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 52.8 mt -68.31 -53.3 29.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.136 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -56.64 -31.66 64.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.865 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -66.04 -34.34 77.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.411 ' CB ' ' O ' ' A' ' 36' ' ' GLY . . . -53.47 -37.14 62.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.158 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 84.22 -175.04 51.18 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.462 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -42.27 -44.68 3.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.873 0.368 . . . . 0.0 110.888 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 19.5 mtpt -47.98 -39.7 20.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.411 ' O ' ' CB ' ' A' ' 32' ' ' ALA . . . 94.95 -165.93 25.8 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.474 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 20.6 tt -153.11 139.93 12.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.835 0.35 . . . . 0.0 111.082 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.559 ' CZ3' ' HD3' ' A' ' 40' ' ' ARG . 1.0 OUTLIER -81.05 130.23 34.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.904 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 38' ' ' TRP . 7.7 t -34.74 -42.65 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.841 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.559 ' HD3' ' CZ3' ' A' ' 38' ' ' TRP . 27.1 mtp85 -57.26 -55.84 29.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -40.85 -39.42 1.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.9 t -60.37 -53.47 48.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.153 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -38.16 -41.61 0.61 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.841 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -80.65 -57.47 3.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.972 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.452 ' CB ' HG23 ' A' ' 28' ' ' ILE . 50.8 mmtt -51.04 -60.78 2.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.865 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.5 m -69.44 -20.53 63.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 17.9 m120 64.8 28.69 12.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.418 HD11 ' CD1' ' A' ' 56' ' ' ILE . 19.8 mt -108.74 157.97 35.31 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.621 0.724 . . . . 0.0 110.876 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 155.19 66.73 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.672 2.248 . . . . 0.0 112.369 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.531 ' C ' ' CD1' ' A' ' 50' ' ' LEU . 2.2 tm? -46.98 -47.03 21.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.883 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.461 HG21 ' N ' ' A' ' 52' ' ' GLU . 15.3 t -58.21 -25.87 62.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.461 ' N ' HG21 ' A' ' 51' ' ' THR . 27.5 mm-40 -84.59 -40.59 17.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.427 ' N ' HD12 ' A' ' 53' ' ' ILE . 1.8 mp -67.29 -34.0 66.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.154 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.469 ' ND2' HD11 ' A' ' 50' ' ' LEU . 1.2 m-80 -68.72 -50.29 51.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 56' ' ' ILE . 17.9 ptpt -64.99 -42.5 94.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.449 ' CD1' ' O ' ' A' ' 52' ' ' GLU . 29.7 mt -65.54 -58.32 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.159 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.559 HD12 ' CE1' ' A' ' 80' ' ' TYR . 33.5 mt -47.3 -39.39 14.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 59' ' ' ASN . 27.7 ttpt -75.68 -60.7 2.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 58' ' ' LYS . 15.0 m-80 -36.15 -47.99 0.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.912 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.436 ' CD2' HD11 ' A' ' 65' ' ' LEU . 65.0 mt -61.8 -48.28 81.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -51.12 -19.11 1.02 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.94 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 t -91.25 -33.78 15.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.839 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.6 mttp -79.93 12.08 2.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.3 mmmt 59.66 29.53 19.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.436 HD11 ' CD2' ' A' ' 60' ' ' LEU . 75.1 mt -94.28 -35.97 12.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 33.3 pt -144.08 -178.01 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.137 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.4 pttp -151.24 162.45 40.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.975 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -98.52 127.89 44.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.126 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 84.3 t -126.87 154.67 37.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.146 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -125.59 121.12 32.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.91 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.8 160.65 27.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.852 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.44 HG11 ' N ' ' A' ' 73' ' ' ALA . 6.9 p -50.58 -31.26 9.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.121 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.44 ' N ' HG11 ' A' ' 72' ' ' VAL . . . -52.35 127.8 23.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.033 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.34 99.98 11.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.121 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.2 t -172.57 159.5 4.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 45.3 mmtt -72.35 78.84 1.01 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.67 150.78 49.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -130.68 107.08 8.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 31.5 t -98.91 152.52 4.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.153 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.559 ' CE1' HD12 ' A' ' 57' ' ' LEU . 49.8 m-85 -134.4 149.13 50.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 10.1 ptp -159.74 175.03 13.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.892 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.462 ' HB2' ' CD1' ' A' ' 85' ' ' LEU . 14.4 mt -54.65 138.01 42.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -72.2 -27.49 62.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 31.7 m120 -65.34 -38.13 89.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.854 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.462 ' CD1' ' HB2' ' A' ' 82' ' ' LEU . 27.3 mt -61.12 164.01 5.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.7 t -97.23 161.42 13.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -116.92 175.12 15.55 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.505 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -3.48 12.1 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.676 2.251 . . . . 0.0 112.328 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 32.5 t -48.04 99.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.814 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 16.6 m -81.7 112.69 19.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.498 -179.96 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.1 p -164.45 167.77 19.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.888 0.375 . . . . 0.0 110.876 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 t -171.14 127.93 0.71 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.46 155.12 24.72 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.432 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.9 p -167.94 107.31 0.53 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.887 0.375 . . . . 0.0 110.85 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.3 p -54.84 172.66 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.856 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.57 45.55 1.25 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.477 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -98.14 150.45 21.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.867 0.365 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.2 t 63.52 43.41 5.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 11' ' ' ASN . 24.9 tt0 -87.88 104.18 16.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.893 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 10' ' ' GLN . 11.8 m-80 36.9 42.38 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.46 -43.49 55.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 112.32 42.02 1.01 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.487 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.3 tptt -116.56 147.75 41.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.746 0.308 . . . . 0.0 110.865 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.0 mmt -44.0 142.14 1.47 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.7 mmmm -97.16 116.96 30.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.946 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 159.34 -167.9 35.14 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.463 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 58.1 m -116.42 -56.5 2.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.894 0.378 . . . . 0.0 110.86 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.5 169.12 18.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -113.9 39.72 2.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -99.19 -41.02 7.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.947 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -67.6 -24.12 65.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.433 ' HG3' ' N ' ' A' ' 24' ' ' LEU . 20.2 pttt -81.74 -34.29 30.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.433 ' N ' ' HG3' ' A' ' 23' ' ' LYS . 60.0 tp -72.22 -32.29 66.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 58.8 t -75.43 -44.87 41.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -59.16 -38.55 80.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.957 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.402 ' NE2' ' O ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -62.32 -38.12 88.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.937 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.451 HD13 ' CB ' ' A' ' 45' ' ' LYS . 20.1 mt -71.56 -35.01 54.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.169 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 92.9 mt -63.64 -48.93 84.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.098 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -63.89 -24.83 67.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -69.75 -38.08 76.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.14 -38.14 62.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.084 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.54 -179.84 41.95 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.485 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.48 ' O ' ' CE ' ' A' ' 81' ' ' MET . 5.7 t-20 -45.14 -35.45 3.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.884 0.373 . . . . 0.0 110.851 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 27.2 mmtp -51.42 -45.2 62.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 104.09 -175.24 22.9 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.445 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.2 tt -148.12 151.81 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.842 0.353 . . . . 0.0 111.166 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.463 ' O ' ' N ' ' A' ' 41' ' ' ASP . 9.3 t90 -92.29 128.01 37.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 76.2 p -38.94 -38.9 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.431 ' O ' ' CE2' ' A' ' 44' ' ' TYR . 34.7 ttm-85 -62.24 -41.57 98.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 38' ' ' TRP . 5.5 t70 -59.13 -42.44 90.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.44 ' O ' ' C ' ' A' ' 43' ' ' ARG . 54.6 t -58.1 -49.96 79.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.159 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.471 ' CZ ' ' HB3' ' A' ' 43' ' ' ARG . 6.8 mtp-105 -35.2 -45.75 0.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.431 ' CE2' ' O ' ' A' ' 40' ' ' ARG . 4.4 m-85 -74.08 -55.83 5.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.451 ' CB ' HD13 ' A' ' 28' ' ' ILE . 0.7 OUTLIER -55.1 -63.17 1.24 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.898 179.914 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.423 ' N ' HD13 ' A' ' 28' ' ' ILE . 78.2 p -60.92 -15.64 33.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 51.8 t30 56.2 36.07 26.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.931 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 28.1 mt -120.26 157.62 52.97 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.559 0.695 . . . . 0.0 110.953 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 155.78 65.11 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.681 2.254 . . . . 0.0 112.351 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.463 HD11 ' ND2' ' A' ' 54' ' ' ASN . 3.0 tm? -47.48 -47.48 27.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.922 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.8 t -57.08 -24.73 56.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.164 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -86.03 -40.95 15.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.472 HD13 ' N ' ' A' ' 53' ' ' ILE . 1.7 mp -67.09 -33.16 61.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.147 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.463 ' ND2' HD11 ' A' ' 50' ' ' LEU . 1.2 m-80 -68.92 -54.85 13.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.3 ptmm? -63.47 -37.6 87.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.921 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 59.2 mt -69.64 -55.22 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.438 ' CD1' HG23 ' A' ' 53' ' ' ILE . 41.6 mt -51.79 -36.31 47.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 59' ' ' ASN . 25.2 ttpt -71.92 -61.85 1.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.43 ' C ' ' O ' ' A' ' 58' ' ' LYS . 16.3 m-20 -35.05 -55.18 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.464 ' CB ' HG12 ' A' ' 66' ' ' ILE . 25.7 mt -55.9 -45.74 78.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.938 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 58' ' ' LYS . 54.7 mt-10 -58.2 -23.74 56.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.919 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.0 t -95.07 -24.73 16.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.4 mtpp -88.48 20.17 3.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.944 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.7 mmtt 52.42 44.0 30.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.457 ' CD1' HD21 ' A' ' 60' ' ' LEU . 70.8 mt -113.65 -31.74 6.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.933 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.464 HG12 ' CB ' ' A' ' 60' ' ' LEU . 34.0 pt -147.54 -176.79 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.166 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 43.1 pttt -156.93 166.03 34.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -94.59 127.99 40.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.103 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.418 ' CG1' ' N ' ' A' ' 70' ' ' LYS . 72.7 t -125.23 156.17 34.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.084 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.418 ' N ' ' CG1' ' A' ' 69' ' ' VAL . 5.0 tppp? -122.77 141.27 52.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -105.59 167.32 9.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.441 ' O ' ' C ' ' A' ' 73' ' ' ALA . 9.9 p -68.17 -33.27 59.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.148 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 72' ' ' VAL . . . -33.51 -70.31 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.102 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -161.01 173.15 15.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.115 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 92.8 p -114.48 45.03 1.61 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.817 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.7 mmtm -126.44 48.0 2.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.452 ' HB2' ' NE1' ' A' ' 38' ' ' TRP . 0.4 OUTLIER -169.87 174.65 5.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.85 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.7 tptp -131.86 97.99 4.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 15.1 t -86.19 147.11 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.123 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.4 ' CE1' HD11 ' A' ' 57' ' ' LEU . 39.6 m-85 -129.88 149.44 51.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.48 ' CE ' ' O ' ' A' ' 34' ' ' ASN . 7.6 ptp -157.12 167.75 29.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.448 ' HB2' ' CD1' ' A' ' 85' ' ' LEU . 28.4 mt -51.12 137.53 21.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.893 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.442 ' N ' ' HA ' ' A' ' 66' ' ' ILE . 25.9 t80 -75.8 -29.05 58.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 -66.21 -40.22 90.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.824 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.448 ' CD1' ' HB2' ' A' ' 82' ' ' LEU . 84.0 mt -56.04 138.35 49.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 68.7 m -64.2 -48.15 77.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 131.73 -173.01 20.72 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.463 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -0.36 6.83 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.638 2.225 . . . . 0.0 112.323 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 36.0 p -58.21 100.87 0.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 33.2 t -89.0 150.49 22.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.47 -179.986 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.8 m -123.95 98.18 5.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.899 0.38 . . . . 0.0 110.862 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.9 t -68.98 -49.39 58.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.35 70.64 0.76 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.518 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 m -107.18 96.08 6.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.88 0.371 . . . . 0.0 110.834 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.4 m -115.29 130.94 57.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.816 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.97 50.85 0.11 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.53 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -103.46 90.24 3.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.84 0.352 . . . . 0.0 110.856 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.2 t -173.47 127.47 0.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -141.22 138.83 33.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -131.97 105.26 7.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -107.21 -43.63 4.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.058 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 139.26 59.46 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.5 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -115.59 136.6 52.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.791 0.329 . . . . 0.0 110.91 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 10.7 mmm -47.77 170.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.845 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.2 mtmm -121.86 131.81 54.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 123.58 164.52 12.05 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.475 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.6 m -96.4 -59.11 1.9 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.926 0.393 . . . . 0.0 110.909 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -51.64 149.26 4.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.44 ' CB ' ' HD3' ' A' ' 23' ' ' LYS . 8.5 p30 -118.71 52.56 1.03 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.458 ' CG ' HD12 ' A' ' 48' ' ' LEU . 7.5 mp0 -100.18 -50.45 3.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -67.77 -19.63 65.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.44 ' HD3' ' CB ' ' A' ' 20' ' ' ASN . 12.7 ptmt -87.91 -33.8 18.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 69.0 tp -74.29 -25.96 59.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 92.1 t -81.43 -41.89 19.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.102 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.548 ' CE1' ' HB3' ' A' ' 65' ' ' LEU . 45.9 t80 -63.0 -23.37 67.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.8 -25.32 30.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.946 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.465 HG23 ' CB ' ' A' ' 45' ' ' LYS . 24.6 mt -81.52 -29.88 10.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.12 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.472 ' CG2' ' O ' ' A' ' 80' ' ' TYR . 37.0 mt -72.2 -48.4 49.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -60.54 -24.12 65.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -69.93 -38.31 76.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.07 -33.89 58.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.1 -172.88 42.33 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.464 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.7 p-10 -49.23 -35.63 18.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.866 0.365 . . . . 0.0 110.908 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 29.1 mtmt -56.31 -31.55 63.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 83.24 -173.61 51.92 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.535 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.451 HG12 ' N ' ' A' ' 38' ' ' TRP . 13.4 tt -145.66 157.86 12.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.772 0.32 . . . . 0.0 111.155 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.559 ' CH2' ' HD3' ' A' ' 40' ' ' ARG . 5.6 t90 -88.48 141.11 28.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.3 t -41.56 -56.88 2.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.559 ' HD3' ' CH2' ' A' ' 38' ' ' TRP . 1.0 OUTLIER -51.97 -62.25 1.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 40' ' ' ARG . 42.8 t0 -34.38 -38.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.431 ' O ' ' C ' ' A' ' 43' ' ' ARG . 19.9 t -63.12 -52.24 61.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.126 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 47' ' ' ASN . 30.5 mtp180 -34.27 -58.98 0.46 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -55.85 -51.79 66.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.939 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.465 ' CB ' HG23 ' A' ' 28' ' ' ILE . 46.5 mmtt -55.01 -63.21 1.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.888 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.0 p -68.58 -10.16 54.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 43' ' ' ARG . 19.8 t-20 56.11 26.58 10.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.458 HD12 ' CG ' ' A' ' 21' ' ' GLN . 28.9 mt -109.35 156.78 38.85 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.602 0.715 . . . . 0.0 110.887 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 157.37 60.59 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.657 2.238 . . . . 0.0 112.362 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.468 HD12 ' ND2' ' A' ' 54' ' ' ASN . 3.4 tm? -48.58 -46.59 39.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.6 t -57.25 -23.84 50.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.151 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.429 ' O ' ' CG1' ' A' ' 56' ' ' ILE . 38.9 mm-40 -87.88 -41.75 12.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.471 HG22 ' CD1' ' A' ' 57' ' ' LEU . 1.7 mp -68.37 -30.18 46.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.098 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.468 ' ND2' HD12 ' A' ' 50' ' ' LEU . 1.2 m-80 -72.02 -53.25 13.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.437 ' HG3' ' N ' ' A' ' 56' ' ' ILE . 0.2 OUTLIER -66.27 -36.7 83.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 179.92 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.437 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 60.6 mt -70.26 -54.52 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.161 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.523 HD12 ' CD2' ' A' ' 80' ' ' TYR . 35.7 mt -50.51 -41.77 53.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 59' ' ' ASN . 22.7 ttmt -65.6 -60.47 2.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 58' ' ' LYS . 2.2 m-80 -35.2 -50.44 0.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 71.4 mt -56.84 -47.67 79.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 58' ' ' LYS . 41.6 mt-10 -55.78 -16.48 4.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.2 t -91.17 -25.69 19.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.8 mttm -91.45 13.19 18.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.6 mttp 59.42 26.27 15.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.904 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.548 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 70.8 mt -89.17 -32.59 17.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 19.4 pt -145.45 -175.36 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.9 pttm -160.64 158.25 28.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.417 ' N ' ' OE2' ' A' ' 61' ' ' GLU . . . -92.83 123.59 36.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.101 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 86.7 t -126.52 147.34 31.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.093 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -120.02 96.23 5.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 72' ' ' VAL . 1.2 t -82.06 157.4 24.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.812 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.436 ' C ' ' O ' ' A' ' 71' ' ' SER . 8.5 p -34.87 126.65 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.081 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -171.73 139.22 1.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.126 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.53 39.14 0.82 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.14 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.0 m -171.24 152.87 3.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.3 mmmt -68.46 123.66 21.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -151.92 173.84 14.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -147.03 120.94 9.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.449 HG11 ' N ' ' A' ' 37' ' ' ILE . 46.2 t -108.14 133.98 51.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.135 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.523 ' CD2' HD12 ' A' ' 57' ' ' LEU . 94.5 m-85 -109.85 113.16 25.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 19.0 ptp -127.13 176.12 7.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 28.6 mt -56.62 138.03 52.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -71.35 -28.5 64.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 23.8 t30 -61.25 -40.1 92.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 14.2 mt -51.17 161.8 0.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.0 m -114.4 41.78 2.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 78.35 162.1 19.75 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.497 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 172.14 13.17 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.682 2.255 . . . . 0.0 112.347 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.2 m -109.19 147.32 32.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.842 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.0 t -61.15 122.87 16.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.508 -179.992 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.9 t -148.67 125.37 11.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.853 0.359 . . . . 0.0 110.846 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t -156.46 162.36 39.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.02 133.45 1.61 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.532 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m -167.76 157.7 10.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.844 0.354 . . . . 0.0 110.847 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.1 p -156.6 167.32 30.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.812 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.25 100.73 2.27 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.528 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.45 97.85 4.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.786 0.327 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.2 p -139.69 128.75 23.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -110.2 33.03 4.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -79.03 169.86 17.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -92.39 -44.09 8.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.094 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -175.0 156.4 22.48 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.545 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.5 ttmm -110.82 122.3 47.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.763 0.316 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.24 162.2 25.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.864 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -147.84 145.2 28.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -126.46 95.22 0.44 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.462 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.4 m -38.67 133.51 1.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.903 0.383 . . . . 0.0 110.86 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 20' ' ' ASN . 5.4 m-20 54.79 40.89 32.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.428 ' C ' ' O ' ' A' ' 19' ' ' ASP . 49.1 m-80 35.18 51.44 0.57 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -91.0 -59.92 2.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -52.62 -31.29 35.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.01 -60.34 2.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.909 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 44.5 tp -46.63 -31.46 2.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 95.1 t -75.81 -49.56 25.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.146 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -58.5 -34.07 70.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.921 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -69.17 -31.71 70.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.42 HD13 ' CB ' ' A' ' 45' ' ' LYS . 31.5 mt -76.31 -32.79 22.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.107 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 51.3 mt -69.54 -56.39 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.16 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -58.3 -31.78 67.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -62.99 -37.47 87.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.15 -39.3 63.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.088 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.5 -165.61 26.2 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.483 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -52.74 -45.68 67.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.95 0.405 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.3 mmtt -48.12 -37.2 14.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 88.39 -174.13 43.08 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.517 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.452 HG12 ' N ' ' A' ' 38' ' ' TRP . 14.2 tt -140.86 159.43 23.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.865 0.365 . . . . 0.0 111.099 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.54 ' CZ3' ' HD2' ' A' ' 40' ' ' ARG . 2.2 t90 -94.32 130.62 40.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 38' ' ' TRP . 31.5 t -34.14 -51.96 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.54 ' HD2' ' CZ3' ' A' ' 38' ' ' TRP . 37.2 mtt85 -57.4 -58.1 9.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.825 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 40' ' ' ARG . 1.7 t70 -35.88 -37.53 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.45 ' O ' ' C ' ' A' ' 43' ' ' ARG . 57.7 t -65.73 -53.22 40.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 42' ' ' VAL . 19.6 mtp180 -34.0 -51.13 0.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -66.19 -55.0 18.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.42 ' CB ' HD13 ' A' ' 28' ' ' ILE . 25.9 mmtp -53.95 -63.23 1.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.9 m -62.82 -25.74 68.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.808 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 70.02 25.03 4.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 24.2 mt -108.09 157.14 36.97 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.581 0.705 . . . . 0.0 110.929 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 155.03 66.99 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.672 2.248 . . . . 0.0 112.319 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.455 HD13 ' ND2' ' A' ' 54' ' ' ASN . 1.7 tm? -48.37 -46.06 36.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.7 t -55.63 -24.83 35.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.163 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.444 ' O ' ' CD1' ' A' ' 56' ' ' ILE . 31.8 mm-40 -87.07 -43.54 12.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.472 ' CG2' HD11 ' A' ' 57' ' ' LEU . 1.7 mp -65.74 -39.16 84.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.127 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.455 ' ND2' HD13 ' A' ' 50' ' ' LEU . 11.1 m-20 -63.72 -51.36 65.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.851 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 56' ' ' ILE . 18.4 ptpt -64.67 -41.22 96.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.467 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 26.1 mt -66.26 -57.84 8.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.148 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.472 HD11 ' CG2' ' A' ' 53' ' ' ILE . 46.0 mt -44.88 -40.51 6.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.954 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' A' ' 61' ' ' GLU . 18.1 ttmt -68.12 -64.88 0.77 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 58' ' ' LYS . 26.3 m-20 -35.16 -50.85 0.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.453 ' CB ' HG12 ' A' ' 66' ' ' ILE . 77.9 mt -57.3 -42.32 81.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 58' ' ' LYS . 64.4 mt-10 -63.99 -24.18 67.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 t -90.73 -25.19 20.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.6 mtpp -91.09 21.57 4.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.907 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 60.3 mmtt 50.86 38.54 20.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 43.2 mt -106.38 -32.3 8.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.453 HG12 ' CB ' ' A' ' 60' ' ' LEU . 18.9 pt -147.18 178.12 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.154 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.421 ' NZ ' ' C ' ' A' ' 86' ' ' SER . 34.2 pttt -152.54 164.57 37.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -101.39 122.03 43.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 70.0 t -126.41 143.48 39.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.5 mtpt -109.61 109.8 20.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.8 t -76.46 164.26 26.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.848 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.1 p -48.84 112.37 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.157 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -173.48 157.88 3.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.066 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -91.24 -55.45 3.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 41.1 m -58.38 171.53 0.58 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.824 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.7 tppt? -87.12 130.46 34.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.935 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? -148.53 175.74 10.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.433 ' HG2' ' CE1' ' A' ' 80' ' ' TYR . 28.2 tttp -151.62 114.29 4.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 40.9 t -107.6 138.99 31.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.175 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.433 ' CE1' ' HG2' ' A' ' 78' ' ' LYS . 77.8 m-85 -117.62 123.75 46.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 14.9 ptp -134.69 177.97 7.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.874 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.4 mt -58.16 140.92 51.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.961 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -66.21 -33.77 76.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.934 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -61.11 -40.37 93.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 42.0 mt -57.57 132.71 54.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.95 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.421 ' C ' ' NZ ' ' A' ' 67' ' ' LYS . 34.3 t -63.51 170.7 2.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -153.34 164.13 30.9 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.519 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 172.7 12.16 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.685 2.257 . . . . 0.0 112.333 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.9 t -71.4 132.44 44.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.828 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.8 m -53.39 123.47 12.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.441 -179.96 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.3 p -150.81 151.95 33.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.85 0.357 . . . . 0.0 110.898 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 4' ' ' GLY . 6.0 t -57.61 176.45 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.82 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 3' ' ' SER . . . -36.19 110.23 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.479 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.9 p -174.25 174.33 2.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.89 0.376 . . . . 0.0 110.872 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -61.72 -54.08 47.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.91 79.75 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.485 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -144.53 166.8 24.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.849 0.356 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.1 t -160.66 148.19 15.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.846 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -89.65 138.82 31.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 -83.69 46.42 1.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.59 -41.63 16.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.104 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 102.39 -161.89 16.99 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.53 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.464 ' N ' ' HE2' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -79.89 141.41 36.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.743 0.306 . . . . 0.0 110.957 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 56.33 41.19 29.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.87 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? 47.96 52.95 12.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 54.88 61.72 7.04 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.466 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.4 m -125.08 160.29 29.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.852 0.358 . . . . 0.0 110.844 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.28 140.73 38.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.868 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -43.57 -38.29 2.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -46.18 -48.16 17.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -65.4 -26.48 68.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.856 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.6 mtmt -78.12 -60.21 2.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 35.2 tp -41.94 -38.98 1.72 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.9 t -72.12 -46.64 57.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.458 ' CE1' ' HB3' ' A' ' 65' ' ' LEU . 60.0 t80 -59.3 -28.31 66.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.47 -43.59 31.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 25.7 mt -63.34 -37.78 80.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 74.0 mt -63.11 -58.81 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -52.47 -26.75 13.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -64.72 -42.22 95.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.52 -39.39 64.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.119 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.78 -160.08 30.96 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.476 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -54.12 -47.49 71.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.9 0.381 . . . . 0.0 110.893 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.4 ptpt -45.04 -29.72 0.92 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.467 ' HA3' ' CG1' ' A' ' 79' ' ' VAL . . . 83.02 179.16 52.59 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.496 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.5 tt -136.23 150.33 27.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.835 0.35 . . . . 0.0 111.145 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.53 ' CE3' ' HB2' ' A' ' 40' ' ' ARG . 4.1 t90 -84.99 127.44 34.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 38' ' ' TRP . 86.1 p -35.0 -42.9 0.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.823 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.53 ' HB2' ' CE3' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -60.86 -57.93 10.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -39.58 -30.66 0.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.3 t -69.78 -41.92 79.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' A' ' 40' ' ' ARG . 40.9 mtp180 -48.77 -37.05 17.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.815 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -81.19 -63.38 1.42 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -48.18 -55.1 11.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.9 m -71.14 -14.35 62.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.799 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.6 m120 56.73 31.85 20.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 32.2 mt -117.05 156.26 48.55 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.588 0.709 . . . . 0.0 110.934 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 155.22 66.59 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.708 2.272 . . . . 0.0 112.366 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.457 HD21 ' ND2' ' A' ' 54' ' ' ASN . 3.4 tm? -47.03 -49.42 21.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.918 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.3 t -54.03 -25.29 20.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.168 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -87.32 -39.57 15.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.43 HD11 ' N ' ' A' ' 53' ' ' ILE . 1.8 mp -69.31 -33.84 59.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.133 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.457 ' ND2' HD21 ' A' ' 50' ' ' LEU . 1.2 m-80 -67.64 -52.96 32.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.457 ' HG3' ' N ' ' A' ' 56' ' ' ILE . 16.6 ptpt -65.61 -41.78 92.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.457 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 43.0 mt -65.86 -56.73 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.401 HD11 ' CG2' ' A' ' 53' ' ' ILE . 33.8 mt -47.56 -43.36 25.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' A' ' 61' ' ' GLU . 8.7 tptp -67.71 -63.0 1.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 58' ' ' LYS . 15.1 m-80 -34.99 -51.18 0.51 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.888 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 65.5 mt -55.88 -42.88 76.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 58' ' ' LYS . 48.6 mt-10 -61.17 -17.84 55.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.2 t -90.8 -26.58 19.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.9 mttm -92.11 19.43 6.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.494 ' HG2' ' CE2' ' A' ' 83' ' ' TYR . 14.5 mtpp 53.67 31.76 13.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.458 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 23.6 mt -96.14 -28.28 14.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.949 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 19.7 pt -153.04 176.95 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.9 pttp -150.86 160.99 43.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.898 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.471 ' N ' ' OE2' ' A' ' 61' ' ' GLU . . . -98.71 127.65 44.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.079 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.446 ' CG2' ' HE2' ' A' ' 81' ' ' MET . 93.0 t -123.92 146.15 29.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.4 tptm -114.27 109.09 17.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.1 t -63.89 159.98 18.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.856 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.7 p -43.45 -29.66 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.123 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -83.28 92.61 7.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.115 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.4 90.12 8.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.068 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 52.6 m -128.03 51.6 1.95 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.844 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 57.01 35.03 25.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.9 mtmm -98.71 -178.42 3.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.59 105.76 1.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.467 ' CG1' ' HA3' ' A' ' 36' ' ' GLY . 20.4 t -97.93 154.23 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.109 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.455 ' N ' HG13 ' A' ' 79' ' ' VAL . 97.1 m-85 -135.46 136.15 41.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.446 ' HE2' ' CG2' ' A' ' 69' ' ' VAL . 9.2 ptp -147.08 165.58 29.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.8 mt -43.83 144.81 0.78 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.494 ' CE2' ' HG2' ' A' ' 64' ' ' LYS . 22.7 t80 -73.73 -29.36 62.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 60.8 t-20 -62.27 -40.22 95.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 18.7 mt -59.94 168.46 1.82 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 28.9 m -120.74 130.32 53.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.828 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -61.33 -177.22 2.21 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.446 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 142.36 47.57 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.672 2.248 . . . . 0.0 112.298 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 85.2 p -85.62 157.8 20.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.856 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 16.3 t -85.27 -55.69 3.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.512 179.995 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.8 p -155.22 166.63 32.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.854 0.359 . . . . 0.0 110.888 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 t -121.64 151.52 40.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.3 142.45 5.7 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.441 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -156.44 158.76 37.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.846 0.355 . . . . 0.0 110.876 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -152.23 174.82 13.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.39 82.93 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.494 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -111.7 100.35 8.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.836 0.351 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.1 t -85.05 42.44 0.93 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -163.48 108.11 1.05 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -72.13 -50.47 27.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.74 -44.18 15.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.099 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 69.0 104.75 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.519 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.412 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 2.6 mppt? -97.95 136.51 38.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.793 0.33 . . . . 0.0 110.875 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 20.5 ttm -48.02 112.49 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.8 pttt -100.46 133.32 45.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -179.56 166.63 36.05 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.5 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.5 m -85.78 -43.27 13.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.86 0.362 . . . . 0.0 110.864 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.437 ' O ' ' NE2' ' A' ' 21' ' ' GLN . 9.5 m-20 -72.33 -53.3 12.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.437 ' CG ' ' C ' ' A' ' 19' ' ' ASP . 0.7 OUTLIER 48.01 48.13 18.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.437 ' NE2' ' O ' ' A' ' 19' ' ' ASP . 1.4 mp0 -90.56 -40.08 12.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -70.44 -19.74 62.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.454 ' HG3' ' N ' ' A' ' 24' ' ' LEU . 3.1 pttp -82.15 -30.65 30.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.957 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.454 ' N ' ' HG3' ' A' ' 23' ' ' LYS . 27.9 tp -76.57 -26.66 55.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 37.1 t -80.68 -39.84 18.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.135 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -62.89 -39.08 93.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.404 ' NE2' ' HA ' ' A' ' 27' ' ' GLN . 9.2 mm-40 -63.55 -37.13 86.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.913 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.471 HD11 ' N ' ' A' ' 46' ' ' SER . 50.5 mt -68.85 -40.24 81.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 64.4 mt -62.69 -52.89 54.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -58.59 -27.9 65.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -64.58 -40.24 95.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.96 -39.82 66.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.87 -143.11 16.29 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.468 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -76.43 -24.82 53.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.922 0.391 . . . . 0.0 110.95 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 20.5 pttt -70.53 -5.98 32.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 59.14 -175.56 2.99 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.44 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.404 ' CD1' HG23 ' A' ' 42' ' ' VAL . 13.1 tt -143.13 149.92 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.836 0.351 . . . . 0.0 111.115 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.445 ' CE3' ' HB3' ' A' ' 40' ' ' ARG . 12.9 t90 -80.89 137.55 36.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 65.6 p -43.67 -42.55 5.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.445 ' HB3' ' CE3' ' A' ' 38' ' ' TRP . 38.3 ttt180 -67.11 -55.59 13.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.879 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -41.18 -30.56 0.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.431 ' O ' ' C ' ' A' ' 43' ' ' ARG . 97.2 t -71.98 -51.28 31.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.167 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 42' ' ' VAL . 32.0 mtp180 -34.1 -54.29 0.49 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -59.84 -56.91 15.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.953 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.415 ' CB ' HD11 ' A' ' 28' ' ' ILE . 41.5 mmtt -51.91 -61.49 2.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.918 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.471 ' N ' HD11 ' A' ' 28' ' ' ILE . 89.9 p -68.06 -11.92 59.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 54.05 26.94 6.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 36.1 mt -107.07 157.19 35.96 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.605 0.717 . . . . 0.0 110.934 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 155.17 66.68 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.747 2.298 . . . . 0.0 112.303 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.466 HD13 ' ND2' ' A' ' 54' ' ' ASN . 0.5 OUTLIER -48.9 -44.26 40.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.916 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.6 t -58.38 -24.09 58.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.13 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -87.18 -44.4 11.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.7 mp -66.22 -36.2 76.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.171 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.466 ' ND2' HD13 ' A' ' 50' ' ' LEU . 9.0 m-20 -68.17 -52.49 33.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -67.41 -37.67 83.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 52.2 mt -70.15 -55.38 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.132 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.563 HD12 ' CE2' ' A' ' 80' ' ' TYR . 18.7 mt -45.2 -48.29 12.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 40.8 tttm -66.1 -57.99 6.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 26.1 m-20 -41.39 -29.32 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 84.1 mt -76.46 -44.84 33.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -58.59 -17.19 19.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.2 t -86.78 -35.03 19.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.4 mttp -80.9 12.1 3.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.564 ' HD2' ' CE2' ' A' ' 83' ' ' TYR . 17.0 mmtp 58.4 36.83 25.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.868 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 97.5 mt -101.43 -31.03 11.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.897 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 5.9 pt -145.05 -175.02 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.401 ' NZ ' ' C ' ' A' ' 87' ' ' GLY . 1.2 ptmt -158.19 167.65 29.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -101.01 122.77 44.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.083 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 91.4 t -126.92 97.91 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.146 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.1 tptp -77.68 99.32 5.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.9 p -64.9 155.21 35.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.1 p -56.91 121.46 4.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.153 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -171.26 174.03 4.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.101 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -95.07 -56.62 2.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 79.8 p -67.99 148.18 51.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 36.6 mmtm -65.15 140.6 58.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? -156.69 174.5 15.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.8 tptm -152.16 106.42 3.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 13.2 t -100.95 136.25 33.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.563 ' CE2' HD12 ' A' ' 57' ' ' LEU . 99.1 m-85 -122.34 128.73 51.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.946 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 9.4 ptp -138.44 174.0 11.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.904 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.445 ' HB2' ' CD1' ' A' ' 85' ' ' LEU . 14.6 mt -53.12 138.31 31.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.564 ' CE2' ' HD2' ' A' ' 64' ' ' LYS . 37.9 t80 -69.0 -26.46 65.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -66.66 -39.46 88.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.865 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.445 ' CD1' ' HB2' ' A' ' 82' ' ' LEU . 19.8 mt -58.48 143.06 46.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 78.4 p -55.09 144.67 23.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.401 ' C ' ' NZ ' ' A' ' 67' ' ' LYS . . . 166.91 -170.28 41.25 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.471 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 107.85 1.95 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.709 2.272 . . . . 0.0 112.315 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 30.9 m -52.85 118.72 3.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.9 t -78.13 -51.32 10.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.85 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.47 -179.984 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 t -158.96 174.38 15.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.903 0.383 . . . . 0.0 110.864 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.5 m -126.25 -44.37 1.74 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.98 153.95 13.18 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.477 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.0 m -67.48 120.59 14.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.866 0.365 . . . . 0.0 110.859 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -162.92 145.41 10.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.907 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.0 -131.74 10.68 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.495 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 35.3 t70 64.17 42.67 5.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.822 0.344 . . . . 0.0 110.864 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 82.2 p -130.08 125.77 35.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -87.79 159.14 18.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.921 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 -99.26 41.63 1.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -93.23 -43.6 8.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.48 51.28 3.14 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.504 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.48 161.84 16.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.728 0.299 . . . . 0.0 110.93 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 34.8 mtt -89.49 100.3 13.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.1 tppt? -89.94 80.65 6.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.933 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 133.63 137.42 3.85 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.521 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 71.7 p -59.13 136.22 57.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.869 0.366 . . . . 0.0 110.864 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -164.11 142.36 7.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.819 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 70.0 m-20 -115.2 -28.55 6.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.893 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -65.63 -59.75 3.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -52.84 -16.52 1.03 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 31.9 mtpt -88.96 -58.33 2.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 37.7 tp -50.62 -28.06 8.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.454 ' CG2' HG23 ' A' ' 56' ' ' ILE . 91.6 t -79.41 -46.15 23.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.11 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -57.84 -39.09 76.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -67.39 -35.3 79.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.919 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.418 HD12 ' C ' ' A' ' 45' ' ' LYS . 42.5 mt -68.15 -36.57 75.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.9 mt -65.91 -55.56 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.099 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -56.51 -24.45 46.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -67.64 -43.27 80.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.78 -27.55 29.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.07 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.22 -153.26 26.39 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.463 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -65.42 -45.02 85.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.875 0.369 . . . . 0.0 110.901 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.6 mtmm -46.18 -38.46 8.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 96.42 -167.13 24.57 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.488 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.41 ' CD1' HG21 ' A' ' 42' ' ' VAL . 15.8 tt -146.91 158.03 10.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.818 0.342 . . . . 0.0 111.162 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.513 ' CZ3' ' HD2' ' A' ' 40' ' ' ARG . 17.8 t90 -96.81 131.79 43.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 38' ' ' TRP . 3.7 t -35.31 -50.31 0.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.513 ' HD2' ' CZ3' ' A' ' 38' ' ' TRP . 7.1 ttm180 -54.06 -50.53 66.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.87 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -49.79 -51.78 37.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.41 HG21 ' CD1' ' A' ' 37' ' ' ILE . 73.2 t -53.02 -35.62 22.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.6 ttp180 -46.78 -67.07 0.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -60.85 -53.52 56.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.418 ' C ' HD12 ' A' ' 28' ' ' ILE . 33.8 mmtm -44.11 -42.64 6.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 65.3 p -93.98 -7.82 41.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.835 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 56.84 26.92 12.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 67.6 mt -109.49 155.27 41.54 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.598 0.713 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 154.4 67.85 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.661 2.241 . . . . 0.0 112.374 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.475 ' CD1' ' ND2' ' A' ' 54' ' ' ASN . 2.1 tm? -47.99 -45.55 31.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.4 t -54.69 -26.47 33.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -84.83 -48.61 9.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.469 ' CG2' ' CD1' ' A' ' 57' ' ' LEU . 1.8 mp -61.02 -29.29 45.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.16 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.475 ' ND2' ' CD1' ' A' ' 50' ' ' LEU . 17.0 m-20 -70.12 -55.27 9.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.448 ' HG3' ' N ' ' A' ' 56' ' ' ILE . 4.5 ptpp? -66.34 -34.16 77.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.454 HG23 ' CG2' ' A' ' 25' ' ' VAL . 57.3 mt -72.16 -52.08 26.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.482 HD12 ' CE2' ' A' ' 80' ' ' TYR . 32.9 mt -51.48 -38.88 56.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.497 ' O ' ' N ' ' A' ' 61' ' ' GLU . 20.1 tttp -68.73 -62.33 1.43 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 58' ' ' LYS . 2.1 m-80 -35.56 -50.63 0.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.466 ' CD2' HD12 ' A' ' 65' ' ' LEU . 66.4 mt -59.08 -41.2 87.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.981 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 58' ' ' LYS . 53.3 mt-10 -64.97 -20.43 66.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 t -96.16 -25.58 15.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.3 mtpp -87.71 19.14 3.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.929 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt 52.91 35.11 18.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.466 HD12 ' CD2' ' A' ' 60' ' ' LEU . 40.0 mt -102.37 -36.79 8.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.459 HG12 ' CB ' ' A' ' 60' ' ' LEU . 17.5 pt -140.02 -175.15 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.117 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.9 pttm -160.63 158.59 29.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.15 125.35 37.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.064 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.45 ' CG2' ' HE2' ' A' ' 81' ' ' MET . 53.3 t -125.94 96.44 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.071 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 30.5 tttt -83.61 97.57 9.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.1 t -79.47 162.03 25.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 13.0 p -40.83 129.88 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.142 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -174.41 159.74 3.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.078 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -97.73 -42.82 7.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.052 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.1 m -76.93 170.05 17.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.16 111.97 23.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt -139.21 173.48 11.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 25.4 tptt -149.18 110.46 4.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 10.3 t -95.2 150.05 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.115 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.482 ' CE2' HD12 ' A' ' 57' ' ' LEU . 97.9 m-85 -132.59 132.69 42.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.45 ' HE2' ' CG2' ' A' ' 69' ' ' VAL . 12.4 ptp -145.49 162.24 37.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.438 ' CD1' HD12 ' A' ' 85' ' ' LEU . 11.9 mt -45.36 143.48 1.76 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -77.8 -32.71 52.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -67.97 -38.41 82.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.438 HD12 ' CD1' ' A' ' 82' ' ' LEU . 9.9 mp -62.43 162.79 9.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.7 m -90.93 151.06 21.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -88.49 -158.43 33.67 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.514 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 92.3 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.655 2.237 . . . . 0.0 112.346 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.3 t 59.78 38.21 21.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 22.9 t -135.36 147.94 49.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 -179.969 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.7 p -92.27 -59.81 2.0 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.856 0.36 . . . . 0.0 110.868 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.5 p -66.51 138.59 57.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.19 44.66 17.33 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.451 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.9 p -44.52 131.73 6.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.9 0.381 . . . . 0.0 110.832 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -111.86 168.85 9.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.93 -162.27 35.46 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.462 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -170.1 166.72 9.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.81 0.338 . . . . 0.0 110.85 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.3 p -90.36 163.92 14.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -58.49 158.94 6.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.913 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -124.14 42.57 3.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.23 -43.14 21.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.22 89.04 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.489 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -104.8 118.68 37.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.76 0.314 . . . . 0.0 110.868 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.6 tpt -102.3 155.03 18.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.839 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.0 tttp -51.59 -64.5 0.79 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.77 -64.36 1.49 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.504 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 63.7 m -39.5 -62.67 0.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.888 0.375 . . . . 0.0 110.874 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -99.89 167.01 10.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.854 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.439 ' O ' ' CB ' ' A' ' 24' ' ' LEU . 1.2 m120 -131.36 44.43 2.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.856 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 -93.33 -49.04 6.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -70.6 -22.79 62.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.55 -37.73 12.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.439 ' CB ' ' O ' ' A' ' 20' ' ' ASN . 27.9 tp -62.1 -34.05 75.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.889 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 95.3 t -76.32 -43.96 36.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.136 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.543 ' CE1' ' HB3' ' A' ' 65' ' ' LEU . 59.3 t80 -58.41 -26.51 63.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.882 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.45 -29.8 37.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.928 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.46 HG22 ' CB ' ' A' ' 45' ' ' LYS . 28.6 mt -75.44 -34.48 30.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 53.5 mt -64.06 -55.2 23.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.146 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -57.31 -36.04 70.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -56.06 -39.06 71.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.34 -38.89 63.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.1 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.83 -174.43 34.46 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.467 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -45.5 -44.42 12.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.85 0.357 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.4 mmmt -48.44 -43.1 34.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.58 -165.26 20.16 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.43 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.2 tt -148.95 155.38 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.767 0.318 . . . . 0.0 111.15 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 10.1 t90 -88.62 137.03 32.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.956 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.7 p -39.51 -47.51 1.88 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 42' ' ' VAL . 23.7 mtm180 -64.84 -55.86 16.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -38.08 -29.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 40' ' ' ARG . 93.4 t -74.48 -53.43 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.175 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 42' ' ' VAL . 22.9 mtp180 -34.38 -48.72 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -65.14 -58.45 5.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.46 ' CB ' HG22 ' A' ' 28' ' ' ILE . 25.1 mmtp -53.16 -61.14 2.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.881 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 71.3 p -66.21 -4.95 8.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.838 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 47.5 t30 45.4 33.85 1.39 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.2 mt -116.62 156.57 47.52 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.634 0.731 . . . . 0.0 110.933 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 155.01 66.99 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.624 2.216 . . . . 0.0 112.323 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.468 HD23 ' ND2' ' A' ' 54' ' ' ASN . 3.2 tm? -47.87 -48.08 31.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.966 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.7 t -55.08 -24.1 23.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.176 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.499 ' O ' ' CD1' ' A' ' 56' ' ' ILE . 6.4 mm-40 -87.96 -42.31 12.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.461 ' CG2' ' CD1' ' A' ' 57' ' ' LEU . 1.7 mp -66.5 -33.32 62.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.167 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.468 ' ND2' HD23 ' A' ' 50' ' ' LEU . 1.1 m-80 -66.72 -54.01 27.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.437 ' HG3' ' N ' ' A' ' 56' ' ' ILE . 17.3 ptpt -62.77 -41.32 99.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.499 ' CD1' ' O ' ' A' ' 52' ' ' GLU . 23.6 mt -67.28 -57.3 10.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.558 HD11 ' CE2' ' A' ' 80' ' ' TYR . 41.4 mt -47.74 -44.55 28.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 59' ' ' ASN . 21.4 mtpp -73.14 -62.1 1.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 58' ' ' LYS . 26.7 m-20 -34.99 -48.95 0.43 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.43 HD21 ' CD1' ' A' ' 65' ' ' LEU . 67.3 mt -60.47 -47.18 87.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.937 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 58' ' ' LYS . 50.7 mt-10 -52.48 -20.26 2.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.2 t -88.24 -32.66 18.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.816 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.7 mttp -82.52 18.4 1.51 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 50.6 mmtt 54.03 37.95 27.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.906 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.543 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 82.7 mt -104.18 -31.76 9.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 13.8 pt -148.09 177.41 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.109 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.5 pttt -150.97 162.2 41.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.426 ' N ' ' OE2' ' A' ' 61' ' ' GLU . . . -101.26 120.1 39.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.124 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 87.3 t -113.45 145.32 19.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.162 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.46 ' HG3' ' N ' ' A' ' 71' ' ' SER . 0.1 OUTLIER -91.44 150.74 21.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.46 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 54.8 p -107.91 144.02 35.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.406 ' O ' ' C ' ' A' ' 73' ' ' ALA . 7.4 p -54.81 -38.11 43.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.109 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 72' ' ' VAL . . . -36.84 -66.5 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -164.62 174.63 10.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.099 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 99.3 p -104.37 48.69 0.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -124.9 -14.38 6.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.434 ' HD3' ' N ' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -104.33 174.79 5.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.893 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.25 121.13 11.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 41.3 t -108.73 140.34 27.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.558 ' CE2' HD11 ' A' ' 57' ' ' LEU . 98.8 m-85 -124.25 131.57 53.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 21.1 ptp -142.17 177.02 8.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.832 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.437 ' CB ' HD13 ' A' ' 85' ' ' LEU . 12.3 mt -57.29 141.91 45.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -67.94 -45.81 73.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 41.5 t-20 -61.14 -40.08 92.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.437 HD13 ' CB ' ' A' ' 82' ' ' LEU . 9.8 mp -64.42 155.3 33.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.958 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 53.0 p -110.07 136.49 49.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -98.65 -175.67 32.45 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.511 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -1.06 7.84 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.678 2.252 . . . . 0.0 112.335 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 90' ' ' SER . 47.9 p -49.25 139.98 10.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 89' ' ' SER . 3.2 m -36.58 119.28 0.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 -179.816 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.482 179.997 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 m -165.81 133.88 3.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.88 0.371 . . . . 0.0 110.862 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.6 t -171.55 114.94 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.809 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.56 148.07 7.97 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.507 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.4 m -153.86 161.35 42.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.932 0.396 . . . . 0.0 110.845 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -135.87 116.78 14.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.829 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.98 159.56 29.04 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.513 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -52.35 156.04 1.86 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.816 0.341 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.1 p -95.36 -51.5 4.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 54.0 mm-40 -143.68 115.34 8.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.918 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -97.1 118.05 32.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -94.71 -43.82 8.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.072 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 49.36 50.57 29.08 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -74.43 153.2 39.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.79 0.329 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.4 tmm? -116.41 42.57 2.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.0 tttm -122.95 153.59 39.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 83.56 -138.89 18.25 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 42.1 p -44.69 166.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.88 0.371 . . . . 0.0 110.842 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 59.28 47.65 11.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.827 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -86.82 46.65 1.39 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -101.05 -48.19 4.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -65.6 -20.65 66.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.4 pttt -83.44 -35.61 24.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.8 tp -70.56 -36.26 73.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.449 ' CG1' HG21 ' A' ' 56' ' ' ILE . 28.8 t -74.83 -45.84 42.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.456 ' CE1' ' HB3' ' A' ' 65' ' ' LEU . 61.6 t80 -58.02 -28.39 64.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.936 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -79.23 -43.77 23.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.907 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 33.6 mt -64.04 -30.86 51.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.114 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 54.3 mt -71.52 -52.85 23.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.125 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -58.89 -25.92 63.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -68.36 -33.83 74.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.36 -31.15 67.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.13 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 82.86 -165.08 43.42 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.482 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -53.76 -43.98 69.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.843 0.354 . . . . 0.0 110.881 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 68.5 mttt -47.93 -35.93 11.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 92.05 -173.08 35.85 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.467 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.1 tt -143.18 151.53 17.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.788 0.328 . . . . 0.0 111.144 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.563 ' CH2' ' HD2' ' A' ' 40' ' ' ARG . 7.7 t90 -84.64 136.75 33.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 55.6 p -40.34 -44.16 1.89 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.858 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.563 ' HD2' ' CH2' ' A' ' 38' ' ' TRP . 24.5 mtt180 -64.26 -52.98 56.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.65 -21.74 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.4 ' N ' ' C ' ' A' ' 40' ' ' ARG . 85.1 t -80.91 -38.11 16.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 47' ' ' ASN . 37.1 mtm180 -54.21 -53.11 58.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -61.85 -66.03 0.6 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.96 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 20.7 mmtm -45.45 -50.86 12.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.887 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.8 m -75.0 -16.61 60.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.408 ' N ' ' O ' ' A' ' 43' ' ' ARG . 4.7 m120 56.81 26.5 11.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.877 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 31.0 mt -108.53 157.22 37.16 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.602 0.715 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 154.68 67.25 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.671 2.248 . . . . 0.0 112.347 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.468 ' CD1' ' C ' ' A' ' 50' ' ' LEU . 2.0 tm? -47.65 -46.75 29.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.1 t -54.1 -26.24 26.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.101 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -86.08 -45.24 11.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.919 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.47 HG23 ' CD1' ' A' ' 57' ' ' LEU . 1.7 mp -63.73 -31.76 54.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.155 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.467 ' ND2' HD11 ' A' ' 50' ' ' LEU . 15.5 m-20 -71.27 -51.39 24.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -66.33 -39.54 89.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.449 HG21 ' CG1' ' A' ' 25' ' ' VAL . 47.4 mt -68.32 -56.7 11.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.521 HD12 ' CE2' ' A' ' 80' ' ' TYR . 35.5 mt -47.7 -36.1 10.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 59' ' ' ASN . 7.8 ttpp -76.07 -62.74 1.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.948 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 58' ' ' LYS . 15.7 m-80 -35.08 -55.21 0.6 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.467 HD23 ' CD1' ' A' ' 65' ' ' LEU . 83.6 mt -54.0 -49.21 69.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.433 ' CG ' HG13 ' A' ' 66' ' ' ILE . 46.3 mt-10 -52.27 -27.36 14.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 t -90.57 -28.9 18.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.8 mtpp -85.93 22.12 1.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.469 ' HG2' ' CE2' ' A' ' 83' ' ' TYR . 32.0 mtpt 50.22 42.7 25.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.467 ' CD1' HD23 ' A' ' 60' ' ' LEU . 76.0 mt -112.25 -28.19 8.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.433 HG13 ' CG ' ' A' ' 61' ' ' GLU . 18.8 pt -151.48 -175.02 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.6 158.28 33.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -96.28 122.12 38.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 63.7 t -125.09 138.01 55.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt -106.4 113.24 26.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.953 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 52.8 p -70.2 149.97 46.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.859 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.2 p -59.21 114.1 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.133 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -172.98 175.03 3.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.09 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -89.77 -60.15 2.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.061 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 95.9 p -53.51 171.99 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 17.7 mmtp -96.56 135.11 38.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 30.4 mtmt -152.44 -179.61 7.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.935 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.8 tptt -156.62 112.3 2.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.845 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.422 HG13 ' N ' ' A' ' 80' ' ' TYR . 14.6 t -103.7 156.4 5.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.178 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.521 ' CE2' HD12 ' A' ' 57' ' ' LEU . 97.4 m-85 -134.67 146.52 49.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 7.5 ptp -159.38 175.69 13.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.6 mt -54.89 132.58 46.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.469 ' CE2' ' HG2' ' A' ' 64' ' ' LYS . 23.2 t80 -56.69 -39.68 74.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -63.26 -40.08 96.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.9 mp -66.54 108.48 2.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 74.9 m -71.04 -62.39 1.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.823 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 59.99 -158.25 25.51 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.502 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 138.77 38.63 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.658 2.239 . . . . 0.0 112.377 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.2 t -132.57 145.81 51.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.879 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 41.6 t -165.64 125.21 1.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.471 -179.963 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.6 p -117.76 114.51 23.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.941 0.4 . . . . 0.0 110.813 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -82.26 44.7 0.88 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.819 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.15 98.63 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.49 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.7 t -98.21 115.56 28.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.893 0.378 . . . . 0.0 110.838 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 t -88.38 120.9 30.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.87 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.56 100.46 0.15 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.502 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -126.04 41.69 3.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.822 0.344 . . . . 0.0 110.85 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.8 p -167.94 153.71 7.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -89.91 115.06 26.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -114.23 151.95 32.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -106.64 -42.4 4.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.078 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.31 80.82 1.27 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.466 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -106.58 157.65 17.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.764 0.316 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.46 132.81 55.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.857 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -89.57 178.3 6.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 77.49 -110.14 2.96 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.525 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.45 ' CB ' ' HB2' ' A' ' 21' ' ' GLN . 8.7 p -59.35 -176.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.877 0.37 . . . . 0.0 110.85 -179.739 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -115.09 -61.95 1.67 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -121.55 33.04 5.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.45 ' HB2' ' CB ' ' A' ' 18' ' ' SER . 66.2 mt-30 -97.01 -47.19 5.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -68.71 -14.23 62.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 24' ' ' LEU . 21.0 pttt -88.64 -36.08 16.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.417 ' N ' ' HG3' ' A' ' 23' ' ' LYS . 51.8 tp -73.37 -32.36 64.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.422 ' CG1' HG22 ' A' ' 56' ' ' ILE . 36.3 t -74.07 -40.46 51.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.155 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.425 ' CE1' ' HB3' ' A' ' 65' ' ' LEU . 31.3 t80 -63.69 -27.57 69.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.07 -44.98 28.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.927 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 22.0 mt -61.03 -36.36 71.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.089 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 52.5 mt -65.04 -57.48 10.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -55.07 -28.09 49.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -64.69 -38.9 92.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.18 -40.13 64.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.1 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.49 -172.52 37.76 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.539 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -46.04 -36.61 5.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.915 0.388 . . . . 0.0 110.874 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -56.46 -37.38 70.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 89.45 179.1 45.25 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.486 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.4 ' CG1' ' HB3' ' A' ' 41' ' ' ASP . 19.0 tt -132.2 157.84 43.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.827 0.346 . . . . 0.0 111.113 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.501 ' CZ3' ' HD2' ' A' ' 40' ' ' ARG . 3.6 t90 -91.52 132.73 36.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 38' ' ' TRP . 78.2 p -34.55 -58.24 0.49 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.501 ' HD2' ' CZ3' ' A' ' 38' ' ' TRP . 77.5 mtt-85 -52.04 -58.15 7.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 40' ' ' ARG . 4.9 t0 -34.56 -37.75 0.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.405 ' N ' ' O ' ' A' ' 40' ' ' ARG . 93.6 t -63.13 -48.01 89.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.48 ' N ' ' O ' ' A' ' 40' ' ' ARG . 27.1 mtp180 -42.48 -42.98 3.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -76.35 -58.1 3.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -50.02 -61.22 2.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 41.9 m -66.39 -22.36 66.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.887 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 67.16 26.49 8.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 31.1 mt -110.91 156.95 39.94 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.594 0.711 . . . . 0.0 110.943 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 153.67 68.78 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.749 2.299 . . . . 0.0 112.308 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.509 ' C ' ' CD1' ' A' ' 50' ' ' LEU . 1.1 tm? -46.28 -49.19 17.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.6 t -50.26 -28.43 7.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.166 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -86.28 -45.79 10.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.468 ' CG2' HD11 ' A' ' 57' ' ' LEU . 1.8 mp -61.63 -33.66 58.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.104 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.439 ' ND2' HD13 ' A' ' 50' ' ' LEU . 9.5 m-20 -67.93 -53.13 28.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.446 ' HG3' ' N ' ' A' ' 56' ' ' ILE . 7.3 ptpp? -68.68 -34.22 75.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.446 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 57.6 mt -71.99 -50.17 39.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.117 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.566 HD12 ' CD2' ' A' ' 80' ' ' TYR . 16.3 mt -53.83 -40.93 66.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.947 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 59' ' ' ASN . 1.0 OUTLIER -69.45 -59.87 2.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.946 179.808 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 58' ' ' LYS . 27.1 m-20 -35.13 -59.02 0.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.445 ' CB ' HG12 ' A' ' 66' ' ' ILE . 90.2 mt -51.17 -48.11 61.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.474 ' OE2' ' N ' ' A' ' 68' ' ' ALA . 30.7 mt-10 -57.0 -15.47 5.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t -98.83 -32.22 11.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -78.36 9.48 3.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt 62.98 41.56 8.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.425 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 73.2 mt -112.64 -35.05 5.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.445 HG12 ' CB ' ' A' ' 60' ' ' LEU . 23.4 pt -140.15 176.62 5.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.445 ' HE3' ' CG2' ' A' ' 69' ' ' VAL . 46.5 pttt -153.18 165.15 36.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.474 ' N ' ' OE2' ' A' ' 61' ' ' GLU . . . -94.21 120.56 34.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.072 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.445 ' CG2' ' HE3' ' A' ' 67' ' ' LYS . 77.7 t -126.83 153.18 35.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.114 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -113.71 151.66 31.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.926 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -108.32 167.17 10.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.866 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.447 ' O ' ' C ' ' A' ' 73' ' ' ALA . 7.7 p -67.85 -39.05 81.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.135 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 72' ' ' VAL . . . -33.58 -63.73 0.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.09 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.42 ' C ' ' HE2' ' A' ' 77' ' ' LYS . . . -146.71 -176.98 5.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.067 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 77' ' ' LYS . 10.3 m -109.52 -52.55 2.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.709 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.4 tppt? -62.11 74.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.933 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 75' ' ' SER . 15.1 mtmt -158.38 -175.3 5.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -157.77 119.7 3.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 39.8 t -121.42 134.39 64.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.566 ' CD2' HD12 ' A' ' 57' ' ' LEU . 92.2 m-85 -115.09 113.75 24.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.925 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 16.6 ptp -127.62 172.79 10.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.447 ' HB2' ' CD1' ' A' ' 85' ' ' LEU . 15.8 mt -49.37 136.51 15.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -75.64 -30.9 59.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -65.36 -40.16 93.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.936 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.447 ' CD1' ' HB2' ' A' ' 82' ' ' LEU . 95.5 mt -51.91 121.87 7.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 19.0 m -42.2 -56.63 2.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 72.79 -158.83 53.34 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.451 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 116.11 4.41 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.719 2.279 . . . . 0.0 112.294 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 55.3 p -153.56 124.85 7.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 31.4 t -81.87 115.63 21.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.881 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.466 -179.977 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.7 p -143.44 161.07 39.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.912 0.387 . . . . 0.0 110.891 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.3 t -158.85 127.88 5.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.818 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.05 144.69 11.15 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.484 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.6 m -120.43 127.98 52.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.84 0.352 . . . . 0.0 110.913 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -92.9 -51.12 5.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.26 127.97 1.01 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -97.71 -52.29 3.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.826 0.346 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.9 m 55.36 42.23 30.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 11.3 tp60 -54.03 140.76 30.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.959 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -78.2 165.74 23.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -87.7 -44.02 11.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.069 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -93.57 85.4 1.09 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.472 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.3 pttt -115.64 125.59 53.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.753 0.311 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 7.5 ttp -79.82 177.84 8.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -86.8 125.6 34.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.826 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 143.95 110.62 0.74 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.51 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.0 m -57.04 -59.61 4.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.871 0.367 . . . . 0.0 110.847 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -67.98 -176.15 0.66 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.835 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.464 ' CB ' ' HD3' ' A' ' 23' ' ' LYS . 5.2 p30 -128.56 51.81 1.97 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -99.59 -52.89 3.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -66.46 -25.41 66.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.464 ' HD3' ' CB ' ' A' ' 20' ' ' ASN . 16.6 ptmt -83.6 -44.65 14.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.461 ' N ' ' HG3' ' A' ' 23' ' ' LYS . 16.4 tp -60.36 -33.04 71.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 57.3 t -76.05 -36.37 31.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -68.01 -33.01 73.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -72.84 -22.43 60.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 43.7 mt -84.04 -27.79 7.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.168 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 45.8 mt -73.73 -50.44 29.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.106 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -61.53 -24.45 66.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -72.3 -35.82 68.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.851 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.21 -39.04 63.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.112 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.49 -171.31 41.62 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.475 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -49.65 -32.78 13.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.869 0.366 . . . . 0.0 110.893 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 66.7 mttt -56.06 -39.89 72.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 94.88 -174.6 33.1 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.49 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.4 tt -147.26 140.99 19.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.792 0.33 . . . . 0.0 111.173 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.571 ' CZ3' ' HD3' ' A' ' 40' ' ' ARG . 0.9 OUTLIER -82.64 130.18 35.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 38' ' ' TRP . 2.5 t -34.29 -42.16 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.826 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.571 ' HD3' ' CZ3' ' A' ' 38' ' ' TRP . 33.5 mtp180 -63.47 -55.05 27.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -40.41 -32.69 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.451 ' O ' ' C ' ' A' ' 43' ' ' ARG . 30.6 t -71.02 -54.84 16.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.142 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 42' ' ' VAL . 20.4 mtp180 -34.36 -43.54 0.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.836 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.41 ' CE2' ' O ' ' A' ' 40' ' ' ARG . 2.0 m-85 -73.72 -53.83 9.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.95 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.7 mmtm -57.66 -60.9 2.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.895 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 76.4 p -65.86 -16.02 63.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.787 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 52.4 m-80 57.89 25.62 12.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 26.9 mt -105.29 157.94 33.28 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.605 0.717 . . . . 0.0 110.939 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 154.39 67.51 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.678 2.252 . . . . 0.0 112.348 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.469 HD23 ' ND2' ' A' ' 54' ' ' ASN . 3.4 tm? -47.25 -45.23 23.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.9 t -58.68 -26.25 63.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.165 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.407 ' O ' ' CG1' ' A' ' 56' ' ' ILE . 31.0 mm-40 -85.25 -41.34 15.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.7 mp -67.43 -29.99 47.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.172 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.469 ' ND2' HD23 ' A' ' 50' ' ' LEU . 1.2 m-80 -73.07 -53.12 11.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.45 ' HG3' ' N ' ' A' ' 56' ' ' ILE . 22.2 pttt -65.32 -33.93 77.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.45 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 50.0 mt -73.6 -53.57 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.13 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.556 HD12 ' CD1' ' A' ' 80' ' ' TYR . 16.9 mt -53.8 -28.73 36.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.6 ttpt -85.22 -57.6 3.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 55' ' ' LYS . 2.0 m-80 -38.9 -49.14 1.65 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.841 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.416 HD22 ' CD1' ' A' ' 65' ' ' LEU . 40.8 mt -58.48 -46.91 85.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -54.83 -17.43 3.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 t -89.34 -29.54 19.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.84 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.3 mttm -84.72 7.54 20.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 53.2 mmtt 65.29 29.03 11.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.416 ' CD1' HD22 ' A' ' 60' ' ' LEU . 50.0 mt -93.53 -37.58 11.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.967 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 44.8 pt -140.35 -176.44 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.149 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 36.9 pttt -153.97 161.44 41.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -97.12 130.22 44.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.108 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 80.3 t -126.93 152.07 34.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.14 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.3 mmtm -115.05 148.59 38.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.2 t -112.95 161.8 16.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.7 p -39.76 -43.2 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.081 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -43.71 168.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.101 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -44.95 170.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.068 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 73.2 m -82.75 -1.54 51.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.2 mmtm -84.93 70.83 10.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.49 169.49 6.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.9 tppt? -153.65 106.61 2.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.929 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 6.8 t -103.83 143.19 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.191 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.556 ' CD1' HD12 ' A' ' 57' ' ' LEU . 89.2 m-85 -124.92 143.13 51.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 9.9 ptp -154.2 162.05 41.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.3 mt -44.1 139.04 2.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -74.24 -32.14 62.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.951 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -67.39 -40.15 85.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 79.8 mt -53.26 139.08 30.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 87.8 p -95.91 94.82 7.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -101.41 -174.37 28.55 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.461 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 154.07 68.2 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.653 2.235 . . . . 0.0 112.362 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 66.7 p -144.56 131.37 20.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.885 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 57.8 m -149.79 149.52 30.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.479 -179.95 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.557 ' O ' HG23 ' A' ' 25' ' ' VAL . 5.1 mp0 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.748 0.309 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.585 ' HG3' HG23 ' A' ' 56' ' ' ILE . 13.3 tt0 -72.21 -16.17 61.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.4 pttp -87.16 -33.97 19.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.905 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 47.5 tp -72.45 -35.73 68.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.634 HG22 ' CB ' ' A' ' 46' ' ' SER . 40.4 t -72.13 -50.28 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.57 ' CE1' ' HB3' ' A' ' 65' ' ' LEU . 57.0 t80 -53.13 -36.8 61.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -67.01 -35.72 80.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.639 HD13 ' CB ' ' A' ' 45' ' ' LYS . 49.0 mt -71.73 -29.15 33.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.141 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.533 HD13 HD13 ' A' ' 66' ' ' ILE . 84.3 mt -71.6 -47.07 59.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.132 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 31' ' ' ASP . 3.4 pt-20 -63.53 -29.46 70.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.917 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.433 ' N ' ' HG3' ' A' ' 30' ' ' GLU . 4.4 t0 -65.33 -36.79 85.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.648 ' HB1' ' O ' ' A' ' 36' ' ' GLY . . . -54.68 -38.98 67.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.113 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.65 -167.31 36.77 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.49 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -49.0 -45.23 42.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.917 0.389 . . . . 0.0 110.892 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 27.5 mttp -47.68 -39.87 18.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.648 ' O ' ' HB1' ' A' ' 32' ' ' ALA . . . 92.57 -171.2 33.16 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.48 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.582 HD13 HG22 ' A' ' 42' ' ' VAL . 15.4 tt -145.93 153.63 13.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.785 0.326 . . . . 0.0 111.134 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.56 ' CE3' ' HB2' ' A' ' 40' ' ' ARG . 2.2 t90 -89.31 135.91 33.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.426 ' HA ' HD11 ' A' ' 57' ' ' LEU . 4.6 t -41.73 -37.85 1.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.857 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.56 ' HB2' ' CE3' ' A' ' 38' ' ' TRP . 7.5 mpt_? -68.43 -60.45 2.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -38.73 -26.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.582 HG22 HD13 ' A' ' 37' ' ' ILE . 46.9 t -76.01 -52.95 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 42' ' ' VAL . 30.1 mtp180 -34.71 -45.02 0.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -70.34 -54.2 13.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.951 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.639 ' CB ' HD13 ' A' ' 28' ' ' ILE . 57.5 mmtt -58.06 -61.87 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.882 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.634 ' CB ' HG22 ' A' ' 25' ' ' VAL . 68.5 p -61.66 -10.5 8.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.833 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 51.4 t30 51.4 33.29 9.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.425 HD21 ' HG3' ' A' ' 21' ' ' GLN . 41.3 mt -119.1 155.48 53.24 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.635 0.731 . . . . 0.0 110.945 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.404 ' O ' HD13 ' A' ' 53' ' ' ILE . 54.2 Cg_endo -69.71 155.23 66.65 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.683 2.256 . . . . 0.0 112.388 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.432 HD13 ' C ' ' A' ' 50' ' ' LEU . 3.1 tm? -46.22 -51.15 14.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.4 t -51.92 -26.27 9.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.17 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.644 ' O ' HD12 ' A' ' 56' ' ' ILE . 33.5 mm-40 -86.91 -41.44 13.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.432 ' N ' HD12 ' A' ' 53' ' ' ILE . 1.7 mp -65.72 -31.88 55.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.174 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -69.39 -52.72 24.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.928 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.481 ' HG3' ' N ' ' A' ' 56' ' ' ILE . 16.0 ptpt -65.73 -39.93 91.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.644 HD12 ' O ' ' A' ' 52' ' ' GLU . 23.0 mt -67.25 -55.63 16.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.161 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.525 HD13 ' CE1' ' A' ' 80' ' ' TYR . 28.5 mt -49.88 -40.07 41.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 59' ' ' ASN . 6.3 tptp -73.02 -59.89 2.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.888 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 58' ' ' LYS . 15.1 m-80 -35.02 -53.78 0.58 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 86.7 mt -53.96 -47.29 71.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.925 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.558 ' OE2' ' HB2' ' A' ' 68' ' ' ALA . 76.7 mt-10 -55.02 -15.79 2.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t -91.34 -27.43 18.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.5 mttm -87.5 14.02 9.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 53.4 mttt 57.41 30.56 18.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.57 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 35.0 mt -95.13 -40.35 9.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.533 HD13 HD13 ' A' ' 29' ' ' ILE . 31.7 pt -138.55 176.24 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.084 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.3 pttt -148.83 164.1 35.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.558 ' HB2' ' OE2' ' A' ' 61' ' ' GLU . . . -96.9 120.89 38.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.093 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 94.9 t . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.137 179.949 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 5.9 t . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.833 0.349 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.525 ' CE1' HD13 ' A' ' 57' ' ' LEU . 90.5 m-85 -124.42 122.83 38.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.983 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.407 ' O ' ' C ' ' A' ' 82' ' ' LEU . 12.6 ptp -135.93 157.17 47.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 81' ' ' MET . 25.0 mt -37.5 149.86 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -83.47 -25.01 31.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 34.0 m120 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.937 179.952 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.491 ' N ' HE21 ' A' ' 21' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.743 0.306 . . . . 0.0 110.884 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -61.17 -17.12 51.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.458 ' HG2' ' N ' ' A' ' 24' ' ' LEU . 6.6 pttp -82.79 -34.45 27.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.458 ' N ' ' HG2' ' A' ' 23' ' ' LYS . 38.5 tp -76.6 -26.66 55.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.958 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.714 HG21 HD13 ' A' ' 56' ' ' ILE . 60.1 t -82.93 -32.41 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.163 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.418 ' CE1' ' HB3' ' A' ' 65' ' ' LEU . 37.6 t80 -70.88 -30.64 67.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.937 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -72.56 -24.43 61.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.972 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.599 HD12 ' HA ' ' A' ' 25' ' ' VAL . 29.9 mt -79.38 -42.56 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.089 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.564 HD13 HD13 ' A' ' 66' ' ' ILE . 42.7 mt -60.24 -42.2 89.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.136 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -68.95 -28.43 66.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -69.69 -33.69 72.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.695 ' HB1' ' O ' ' A' ' 36' ' ' GLY . . . -58.95 -36.83 75.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.096 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.74 -165.45 42.16 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.497 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -47.64 -49.83 26.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.895 0.379 . . . . 0.0 110.942 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.5 mtpp -47.3 -31.4 3.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.695 ' O ' ' HB1' ' A' ' 32' ' ' ALA . . . 80.4 -167.75 50.93 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.472 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.577 HD13 HG22 ' A' ' 42' ' ' VAL . 17.3 tt -146.88 147.96 17.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.826 0.346 . . . . 0.0 111.109 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.451 ' O ' ' C ' ' A' ' 39' ' ' SER . 3.6 t90 -79.76 127.27 32.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.945 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.513 ' HA ' HD11 ' A' ' 57' ' ' LEU . 0.7 OUTLIER -34.5 -38.79 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 -179.785 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.426 ' O ' ' CE1' ' A' ' 44' ' ' TYR . 44.2 mtp180 -73.03 -49.54 28.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.864 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 38' ' ' TRP . 1.9 m-20 -45.14 -22.92 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.625 HG11 HG13 ' A' ' 25' ' ' VAL . 96.2 t -79.51 -47.28 22.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.4 mtm180 -37.67 -39.84 0.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.426 ' CE1' ' O ' ' A' ' 40' ' ' ARG . 1.1 m-85 -74.93 -58.47 3.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.969 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.69 -58.97 5.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.861 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.415 ' CB ' HG22 ' A' ' 25' ' ' VAL . 64.6 p -63.89 -20.17 65.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 61.58 29.48 18.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.409 ' HB2' HD11 ' A' ' 53' ' ' ILE . 74.4 mt -114.63 154.06 46.72 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.66 0.743 . . . . 0.0 110.906 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 156.0 64.6 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.681 2.254 . . . . 0.0 112.405 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.662 ' O ' HD13 ' A' ' 50' ' ' LEU . 1.4 tm? -45.19 -51.87 10.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.933 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.8 t -50.97 -27.95 8.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.132 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.513 ' O ' HD12 ' A' ' 56' ' ' ILE . 48.5 mm-40 -85.57 -41.18 15.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.409 HD11 ' HB2' ' A' ' 48' ' ' LEU . 1.7 mp -67.81 -30.73 49.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.553 ' ND2' HD11 ' A' ' 50' ' ' LEU . 12.3 m-20 -71.66 -49.36 40.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -69.46 -37.37 77.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.714 HD13 HG21 ' A' ' 25' ' ' VAL . 49.1 mt -70.1 -52.98 25.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.145 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.799 HD13 ' CE2' ' A' ' 80' ' ' TYR . 15.4 mt -51.56 -44.82 62.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 61' ' ' GLU . 0.4 OUTLIER -68.52 -60.88 2.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 179.845 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 58' ' ' LYS . 27.7 m-20 -35.1 -47.9 0.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 84.7 mt -59.28 -46.4 88.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.959 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 58' ' ' LYS . 26.6 mt-10 -55.84 -14.67 2.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 t -93.71 -26.2 17.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.6 mttm -90.2 15.9 9.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.878 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 52.8 mttt 54.73 33.22 19.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.418 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 39.4 mt -97.98 -41.28 8.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.564 HD13 HD13 ' A' ' 29' ' ' ILE . 19.1 pt -135.72 178.2 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.162 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 36.2 pttt -155.36 162.93 40.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -95.55 128.12 42.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.102 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 75.8 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.133 179.997 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 24.1 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.833 0.349 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.799 ' CE2' HD13 ' A' ' 57' ' ' LEU . 78.8 m-85 -111.36 127.88 55.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 15.0 ptp -139.0 -178.75 5.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.887 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 16.6 mt -61.48 138.0 58.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.921 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -72.44 -17.92 61.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.931 179.973 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.664 ' O ' HG23 ' A' ' 25' ' ' VAL . 87.0 mt-30 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.797 0.332 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -70.46 -22.11 62.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.854 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.1 mttm -82.02 -40.39 22.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 58.5 tp -66.01 -30.78 71.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 21' ' ' GLN . 38.4 t -80.07 -38.92 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.097 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -65.75 -28.13 68.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -75.5 -28.45 59.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.866 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.56 HD13 ' CB ' ' A' ' 45' ' ' LYS . 43.8 mt -76.24 -42.73 37.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.1 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.748 HG23 ' O ' ' A' ' 80' ' ' TYR . 72.7 mt -61.21 -47.29 94.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.474 ' C ' ' CD ' ' A' ' 30' ' ' GLU . 0.5 OUTLIER -61.56 -29.49 70.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -69.5 -34.65 74.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.841 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.71 ' HB1' ' O ' ' A' ' 36' ' ' GLY . . . -55.88 -32.76 63.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.106 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.73 -174.65 44.74 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.524 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.411 ' O ' ' CE ' ' A' ' 81' ' ' MET . 5.5 p30 -47.71 -36.47 11.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.849 0.357 . . . . 0.0 110.891 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 36.7 mttm -53.48 -41.44 66.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.71 ' O ' ' HB1' ' A' ' 32' ' ' ALA . . . 96.64 -169.83 26.2 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.495 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.485 HD13 HG22 ' A' ' 42' ' ' VAL . 14.8 tt -147.21 151.03 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.855 0.36 . . . . 0.0 111.104 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.583 ' CZ3' ' HD3' ' A' ' 40' ' ' ARG . 3.7 t90 -87.57 130.5 34.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.962 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.544 ' HA ' HD11 ' A' ' 57' ' ' LEU . 1.4 t -34.57 -39.01 0.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.852 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.583 ' HD3' ' CZ3' ' A' ' 38' ' ' TRP . 31.4 mtp180 -64.31 -65.11 0.72 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 40' ' ' ARG . 0.9 OUTLIER -36.75 -29.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.5 ' N ' ' O ' ' A' ' 40' ' ' ARG . 96.3 t -71.54 -54.58 16.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.133 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.441 HH22 ' NE ' ' A' ' 40' ' ' ARG . 41.6 mtm-85 -35.73 -44.75 0.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -70.95 -57.9 4.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.96 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.56 ' CB ' HD13 ' A' ' 28' ' ' ILE . 42.9 mmtt -54.0 -61.28 2.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.91 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.65 ' HB2' HG22 ' A' ' 25' ' ' VAL . 58.5 p -62.41 -15.6 50.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 59.5 t30 56.24 27.69 12.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.429 ' HB3' ' CB ' ' A' ' 52' ' ' GLU . 63.7 mt -111.01 156.13 41.37 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.633 0.73 . . . . 0.0 110.936 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 161.27 46.57 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.682 2.255 . . . . 0.0 112.372 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.628 HD13 ' C ' ' A' ' 50' ' ' LEU . 3.0 tm? -49.17 -51.07 34.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.901 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.5 t -54.45 -24.26 19.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.645 ' O ' HD12 ' A' ' 56' ' ' ILE . 37.0 mm-40 -86.48 -42.38 13.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.405 HD12 ' N ' ' A' ' 53' ' ' ILE . 1.7 mp -68.23 -32.26 55.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.169 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -70.92 -51.43 26.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.0 ptmm? -64.94 -43.26 93.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.645 HD12 ' O ' ' A' ' 52' ' ' GLU . 34.7 mt -65.32 -57.9 9.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.134 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.621 HD13 ' CE1' ' A' ' 80' ' ' TYR . 22.2 mt -46.43 -33.32 3.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 61' ' ' GLU . 29.7 tttt -77.72 -59.23 2.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.832 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 58' ' ' LYS . 1.7 m-80 -36.85 -51.5 0.9 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.909 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.439 ' CB ' HG12 ' A' ' 66' ' ' ILE . 66.2 mt -61.13 -37.64 83.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.966 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 58' ' ' LYS . 34.3 mt-10 -66.01 -20.92 66.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.7 t -96.08 -29.73 13.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.901 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.5 mtpp -83.47 18.59 1.8 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.889 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 26.5 mttp 54.96 31.78 16.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.894 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 47.0 mt -99.44 -31.59 11.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.598 HD11 ' O ' ' A' ' 57' ' ' LEU . 20.7 pt -147.08 -177.47 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.138 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.433 ' HE3' ' CG2' ' A' ' 69' ' ' VAL . 34.2 pttt -159.17 164.59 35.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.493 ' HB2' ' OE2' ' A' ' 61' ' ' GLU . . . -95.95 124.81 40.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.098 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.433 ' CG2' ' HE3' ' A' ' 67' ' ' LYS . 40.7 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.408 ' CG1' ' HA3' ' A' ' 36' ' ' GLY . 19.6 t . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.85 0.357 . . . . 0.0 111.112 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.748 ' O ' HG23 ' A' ' 29' ' ' ILE . 97.0 m-85 -117.62 116.24 26.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.926 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.411 ' CE ' ' O ' ' A' ' 34' ' ' ASN . 14.9 ptp -127.13 176.24 7.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.839 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 12.4 mt -56.6 142.53 39.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -77.59 -32.58 53.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.858 -179.984 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.776 0.322 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -56.77 -24.59 51.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 50.8 mttt -82.14 -52.22 7.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.432 HD21 ' O ' ' A' ' 46' ' ' SER . 39.3 tp -52.94 -36.42 59.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.54 HG13 HG11 ' A' ' 42' ' ' VAL . 91.4 t -74.42 -53.34 17.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.115 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.411 ' HA ' HD12 ' A' ' 29' ' ' ILE . 62.5 t80 -53.38 -35.5 60.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -68.75 -22.52 64.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.47 HD12 ' HA ' ' A' ' 25' ' ' VAL . 44.8 mt -86.3 -35.46 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.417 HD13 HD13 ' A' ' 66' ' ' ILE . 55.2 mt -64.2 -48.35 86.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.134 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.69 -26.73 68.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.902 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -67.61 -36.93 81.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.596 ' HB1' ' O ' ' A' ' 36' ' ' GLY . . . -53.86 -37.56 63.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.51 -159.56 23.25 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.482 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.03 -41.03 97.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.836 0.351 . . . . 0.0 110.837 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp -47.23 -49.65 22.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.596 ' O ' ' HB1' ' A' ' 32' ' ' ALA . . . 110.12 -171.52 14.93 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.438 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.0 tt -150.08 147.24 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.808 0.337 . . . . 0.0 111.111 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.513 ' CE3' ' HD2' ' A' ' 40' ' ' ARG . 4.9 t90 -87.09 134.29 33.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.573 ' HA ' HD11 ' A' ' 57' ' ' LEU . 57.6 p -38.69 -38.43 0.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.86 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.513 ' HD2' ' CE3' ' A' ' 38' ' ' TRP . 47.0 mtt-85 -65.44 -55.47 17.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -38.77 -33.76 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.54 HG11 HG13 ' A' ' 25' ' ' VAL . 43.4 t -67.94 -55.63 15.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 42' ' ' VAL . 18.5 mtp180 -34.11 -47.61 0.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -69.99 -60.97 1.97 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -54.07 -63.17 1.24 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.893 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.432 ' O ' HD21 ' A' ' 24' ' ' LEU . 77.7 p -57.58 -27.75 62.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 31.8 t-20 68.25 29.0 6.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.41 ' HB2' HD11 ' A' ' 53' ' ' ILE . 33.6 mt -115.21 157.43 43.73 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.627 0.727 . . . . 0.0 110.917 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 155.6 65.55 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.7 2.267 . . . . 0.0 112.338 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.671 ' O ' HD13 ' A' ' 50' ' ' LEU . 1.7 tm? -48.43 -45.85 36.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.945 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.4 t -56.55 -24.4 46.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.133 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.426 ' O ' HD12 ' A' ' 56' ' ' ILE . 40.1 mm-40 -87.98 -45.54 10.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.422 ' N ' HD12 ' A' ' 53' ' ' ILE . 1.8 mp -63.78 -35.03 71.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.126 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.572 ' ND2' HD11 ' A' ' 50' ' ' LEU . 15.0 m-20 -67.21 -52.67 38.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.449 ' HG3' ' N ' ' A' ' 56' ' ' ILE . 7.2 pttp -66.7 -34.75 78.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.449 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 48.5 mt -71.99 -54.23 17.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.092 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 1.098 HD13 ' CE2' ' A' ' 80' ' ' TYR . 17.8 mt -49.61 -45.05 47.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 59' ' ' ASN . 4.3 tptm -67.96 -59.12 3.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.966 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 58' ' ' LYS . 26.5 m-20 -35.25 -54.88 0.63 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.529 HD23 HD12 ' A' ' 65' ' ' LEU . 33.5 mt -54.35 -49.04 70.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.486 ' OE2' ' N ' ' A' ' 68' ' ' ALA . 36.3 mt-10 -52.38 -21.51 3.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.5 t -92.39 -26.71 17.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -85.79 14.18 6.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp 57.22 38.73 28.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.951 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.529 HD12 HD23 ' A' ' 60' ' ' LEU . 36.1 mt -108.41 -35.29 6.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.675 HD11 ' O ' ' A' ' 57' ' ' LEU . 19.1 pt -140.91 176.2 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.136 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 46.7 pttt -155.71 155.37 33.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.486 ' N ' ' OE2' ' A' ' 61' ' ' GLU . . . -85.59 132.68 34.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.051 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 53.9 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.088 179.998 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 25.3 t . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.826 0.346 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 1.098 ' CE2' HD13 ' A' ' 57' ' ' LEU . 94.5 m-85 -118.43 150.95 38.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.963 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 8.3 ptp -161.18 175.77 11.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.3 mt -59.52 139.15 57.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -73.75 -33.18 64.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.856 -179.949 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.521 ' O ' HG23 ' A' ' 25' ' ' VAL . 27.0 mt-30 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.77 0.319 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -66.72 -19.83 65.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.9 mtpp -82.5 -57.97 3.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 38.7 tp -47.6 -34.22 7.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.755 HG13 HG11 ' A' ' 42' ' ' VAL . 59.2 t -75.13 -42.51 44.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.146 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.453 ' CE1' ' HB3' ' A' ' 65' ' ' LEU . 60.8 t80 -62.68 -34.03 76.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -70.89 -25.17 62.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 22.8 mt -82.58 -28.78 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.133 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.491 HD11 HD23 ' A' ' 57' ' ' LEU . 91.6 mt -72.57 -47.41 51.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.115 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -65.34 -23.83 67.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -69.2 -37.41 78.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.841 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.446 ' HB1' ' O ' ' A' ' 36' ' ' GLY . . . -57.75 -36.82 72.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.083 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.36 -165.53 37.42 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.478 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -51.19 -42.27 60.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.916 0.389 . . . . 0.0 110.883 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.3 ptpt -51.24 -19.95 1.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.882 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.446 ' O ' ' HB1' ' A' ' 32' ' ' ALA . . . 71.47 -177.12 37.37 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.51 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.475 ' O ' HG13 ' A' ' 79' ' ' VAL . 13.5 tt -141.05 154.77 21.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.779 0.323 . . . . 0.0 111.154 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.444 ' O ' ' N ' ' A' ' 40' ' ' ARG . 6.2 t90 -89.06 125.78 35.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 38' ' ' TRP . 1.5 t -35.38 -34.56 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 38' ' ' TRP . 15.4 mtp85 -67.53 -58.61 4.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -38.35 -31.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.755 HG11 HG13 ' A' ' 25' ' ' VAL . 21.6 t -69.55 -53.9 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.477 ' CZ ' ' HB3' ' A' ' 43' ' ' ARG . 7.1 mtp-105 -34.7 -45.45 0.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -72.58 -55.18 7.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 57.3 mmtt -57.11 -62.9 1.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.875 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.605 ' CB ' HG22 ' A' ' 25' ' ' VAL . 78.8 p -62.38 -9.52 8.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.843 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 27.4 m-20 50.06 34.97 9.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.8 mt -118.3 156.53 50.71 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.655 0.74 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 156.73 62.47 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.687 2.258 . . . . 0.0 112.324 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.539 HD13 ' C ' ' A' ' 50' ' ' LEU . 3.5 tm? -48.16 -47.35 35.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.859 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.1 t -56.33 -23.86 39.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.177 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.641 ' O ' HD12 ' A' ' 56' ' ' ILE . 36.8 mm-40 -87.42 -39.63 15.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.435 ' N ' HD12 ' A' ' 53' ' ' ILE . 1.7 mp -70.55 -31.23 45.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.187 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -72.88 -47.86 42.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.881 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.89 -35.97 72.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.641 HD12 ' O ' ' A' ' 52' ' ' GLU . 44.3 mt -72.01 -54.07 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.128 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.75 HD13 ' CE1' ' A' ' 80' ' ' TYR . 21.3 mt -50.22 -41.99 50.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.479 ' O ' ' N ' ' A' ' 61' ' ' GLU . 30.9 tttp -66.78 -62.78 1.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 58' ' ' LYS . 2.3 m-80 -35.05 -49.61 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.898 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.565 HD23 HD12 ' A' ' 65' ' ' LEU . 48.4 mt -59.15 -43.97 92.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.652 ' OE2' ' HB2' ' A' ' 68' ' ' ALA . 17.3 mt-10 -61.86 -15.37 41.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.8 t -96.41 -26.64 15.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.1 mttm -85.92 5.17 34.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm 69.19 25.55 5.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.565 HD12 HD23 ' A' ' 60' ' ' LEU . 18.9 mt -92.27 -31.69 15.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.93 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.405 HD13 HD13 ' A' ' 29' ' ' ILE . 35.0 pt -148.2 -177.87 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.7 pttp -153.43 165.36 36.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.652 ' HB2' ' OE2' ' A' ' 61' ' ' GLU . . . -98.8 124.77 43.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 30.9 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.172 179.936 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.475 HG13 ' O ' ' A' ' 37' ' ' ILE . 5.7 t . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.811 0.338 . . . . 0.0 111.158 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.75 ' CE1' HD13 ' A' ' 57' ' ' LEU . 81.8 m-85 -124.34 146.47 48.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 10.9 ptp -158.61 172.65 17.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.833 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 29.9 mt -54.9 135.16 48.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -62.28 -40.55 96.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 66.3 m-20 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.993 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.471 ' O ' HG23 ' A' ' 25' ' ' VAL . 85.0 mt-30 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.769 0.318 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -54.38 -15.73 1.82 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.7 pttp -91.78 -38.43 12.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 66.5 tp -66.31 -34.82 78.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.964 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.644 HG21 HG21 ' A' ' 56' ' ' ILE . 12.9 t -71.5 -51.34 33.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.113 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.475 ' CE1' ' HB3' ' A' ' 65' ' ' LEU . 71.2 t80 -57.27 -40.1 77.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.962 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.481 ' NE2' ' O ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -59.65 -28.47 67.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.895 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.551 HD13 ' CB ' ' A' ' 45' ' ' LYS . 25.2 mt -82.49 -42.7 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.547 HD13 HD13 ' A' ' 66' ' ' ILE . 57.7 mt -58.44 -43.4 86.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.148 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.57 -28.27 67.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -67.99 -37.7 81.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.651 ' HB1' ' O ' ' A' ' 36' ' ' GLY . . . -55.32 -38.4 68.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.63 -172.57 41.0 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -46.39 -41.55 13.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.955 0.407 . . . . 0.0 110.905 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.9 mtmp? -50.18 -35.62 27.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.651 ' O ' ' HB1' ' A' ' 32' ' ' ALA . . . 89.08 -170.67 37.94 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.475 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.65 HD13 HG22 ' A' ' 42' ' ' VAL . 15.4 tt -149.85 150.1 14.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.82 0.343 . . . . 0.0 111.161 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.515 ' CZ3' ' HD3' ' A' ' 40' ' ' ARG . 11.6 t90 -80.99 128.66 33.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.8 t -38.35 -40.61 0.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.515 ' HD3' ' CZ3' ' A' ' 38' ' ' TRP . 21.9 ttt180 -67.87 -53.41 26.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.861 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -45.04 -28.97 0.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.65 HG22 HD13 ' A' ' 37' ' ' ILE . 48.4 t -72.1 -51.31 31.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 42' ' ' VAL . 22.2 mtm180 -35.82 -47.69 0.52 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.87 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -68.83 -44.66 72.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.551 ' CB ' HD13 ' A' ' 28' ' ' ILE . 32.7 mmtm -59.33 -59.06 6.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.923 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.9 m -73.07 -19.17 61.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 65.3 t30 64.97 32.03 10.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.533 ' HB2' HD11 ' A' ' 53' ' ' ILE . 38.1 mt -111.4 157.19 39.79 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.647 0.737 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 155.21 66.51 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.674 2.249 . . . . 0.0 112.331 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.685 ' O ' HD13 ' A' ' 50' ' ' LEU . 1.2 tm? -47.69 -47.31 29.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.3 t -54.02 -25.55 21.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.446 ' O ' HD12 ' A' ' 56' ' ' ILE . 43.9 mm-40 -86.79 -46.99 9.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.533 HD11 ' HB2' ' A' ' 48' ' ' LEU . 1.6 mp -63.78 -29.73 48.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.073 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.519 ' ND2' HD11 ' A' ' 50' ' ' LEU . 9.1 m-20 -73.94 -50.18 21.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -68.49 -37.21 79.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.644 HG21 HG21 ' A' ' 25' ' ' VAL . 43.6 mt -70.92 -55.46 14.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.133 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.677 ' O ' HD11 ' A' ' 66' ' ' ILE . 23.5 mt -46.06 -36.89 6.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 61' ' ' GLU . 7.5 tmtm? -78.56 -59.62 2.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 58' ' ' LYS . 28.0 m-20 -35.17 -47.84 0.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 50.3 mt -60.8 -47.64 85.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 58' ' ' LYS . 26.5 mt-10 -49.56 -20.11 0.7 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t -89.22 -27.86 20.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.839 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 28.1 mttt -86.45 15.56 5.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.835 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.0 mttm 54.46 30.11 12.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.876 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.475 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 39.3 mt -96.36 -34.94 11.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.677 HD11 ' O ' ' A' ' 57' ' ' LEU . 16.6 pt -142.99 173.28 6.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.148 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 43.9 pttt -151.22 164.32 36.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -97.01 125.28 41.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.059 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 69.9 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 179.958 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 7.4 t . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.835 0.35 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.488 ' CE2' HD13 ' A' ' 57' ' ' LEU . 79.0 m-85 -122.19 125.47 46.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.971 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.437 ' O ' ' C ' ' A' ' 82' ' ' LEU . 13.3 ptp -139.63 153.01 47.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 81' ' ' MET . 10.6 mt -34.6 151.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -78.79 -42.88 26.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 56.6 m-20 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.977 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.568 ' O ' HG23 ' A' ' 25' ' ' VAL . 44.4 mt-30 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.751 0.31 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -73.37 -26.25 60.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 24' ' ' LEU . 14.1 ptmt -88.83 -41.67 12.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.56 HD21 ' O ' ' A' ' 46' ' ' SER . 54.8 tp -59.16 -24.3 62.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.93 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 21' ' ' GLN . 95.4 t -87.06 -50.12 14.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.15 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.466 ' CE1' ' HB3' ' A' ' 65' ' ' LEU . 89.4 t80 -56.56 -35.03 67.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -65.1 -34.93 79.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.467 HD12 ' O ' ' A' ' 24' ' ' LEU . 22.7 mt -77.33 -35.45 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.11 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.501 HD13 HD13 ' A' ' 66' ' ' ILE . 94.8 mt -63.77 -48.68 85.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.185 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -63.04 -31.9 73.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -62.82 -39.56 94.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.631 ' HB1' ' O ' ' A' ' 36' ' ' GLY . . . -53.5 -35.09 60.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.064 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.49 -178.54 47.51 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.528 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -42.75 -37.27 1.7 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.922 0.391 . . . . 0.0 110.9 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 45.5 mtmt -53.24 -41.17 65.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.631 ' O ' ' HB1' ' A' ' 32' ' ' ALA . . . 94.19 -173.01 32.56 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.519 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.422 ' HB ' ' HB2' ' A' ' 32' ' ' ALA . 14.0 tt -147.84 151.97 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.836 0.351 . . . . 0.0 111.072 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.556 ' CZ3' ' HD3' ' A' ' 40' ' ' ARG . 2.8 t90 -81.34 133.13 35.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.536 ' HA ' HD11 ' A' ' 57' ' ' LEU . 3.4 t -39.06 -45.08 1.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.556 ' HD3' ' CZ3' ' A' ' 38' ' ' TRP . 39.2 mtp180 -63.42 -59.84 4.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.873 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 40' ' ' ARG . 1.9 m-20 -34.81 -34.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.859 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.523 HG11 HG13 ' A' ' 25' ' ' VAL . 90.1 t -69.96 -52.82 27.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.139 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 42' ' ' VAL . 30.7 mtm180 -34.15 -46.76 0.26 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -70.45 -57.3 4.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.963 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.3 mmtm -51.51 -60.33 3.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.875 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.56 ' O ' HD21 ' A' ' 24' ' ' LEU . 1.8 m -63.58 -31.04 72.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.832 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 74.41 27.53 1.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.913 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 33.4 mt -111.38 157.73 38.23 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.568 0.699 . . . . 0.0 110.931 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 155.34 66.18 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.661 2.24 . . . . 0.0 112.366 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.728 ' O ' HD13 ' A' ' 50' ' ' LEU . 0.5 OUTLIER -48.93 -44.28 40.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.6 t -56.79 -24.55 51.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.176 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.657 ' O ' HD12 ' A' ' 56' ' ' ILE . 37.4 mm-40 -88.05 -42.8 12.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.402 HD12 ' N ' ' A' ' 53' ' ' ILE . 1.8 mp -67.04 -36.68 77.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.126 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.467 ' CG ' ' CD1' ' A' ' 50' ' ' LEU . 8.8 m-20 -65.56 -54.4 28.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.99 -43.54 98.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.657 HD12 ' O ' ' A' ' 52' ' ' GLU . 35.7 mt -64.45 -58.78 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.657 HD13 ' CE2' ' A' ' 80' ' ' TYR . 23.6 mt -43.5 -41.63 4.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 59' ' ' ASN . 0.8 OUTLIER -74.2 -61.81 1.73 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.847 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 58' ' ' LYS . 15.5 m-80 -35.11 -54.66 0.61 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 70.2 mt -51.55 -47.64 63.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.937 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.527 ' OE2' ' HB2' ' A' ' 68' ' ' ALA . 66.1 mt-10 -56.64 -18.33 11.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.81 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 t -89.22 -25.09 21.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.7 mttm -90.5 13.61 15.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 36.2 mmtp 59.75 30.26 19.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.466 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 36.1 mt -95.49 -37.02 11.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.501 HD13 HD13 ' A' ' 29' ' ' ILE . 36.8 pt -142.05 177.94 2.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.166 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 30.9 pttt -148.14 163.15 37.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.527 ' HB2' ' OE2' ' A' ' 61' ' ' GLU . . . -95.78 118.58 32.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 57.2 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.988 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 17.3 t . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.818 0.342 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.657 ' CE2' HD13 ' A' ' 57' ' ' LEU . 88.5 m-85 -122.63 125.1 44.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 12.3 ptp -136.06 -179.96 5.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.875 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.7 mt -61.81 146.64 48.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -77.31 -54.77 6.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 43.8 t-20 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.851 180.0 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.661 ' O ' HG23 ' A' ' 25' ' ' VAL . 18.0 mp0 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.763 0.315 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -60.25 -27.23 67.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.5 mtpt -78.11 -57.63 3.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 41.2 tp -51.64 -28.58 14.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 21' ' ' GLN . 84.7 t -80.8 -43.69 21.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.155 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.442 ' CE1' ' HB3' ' A' ' 65' ' ' LEU . 45.2 t80 -62.88 -26.02 68.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -81.3 -27.11 35.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 37.0 mt -76.18 -30.34 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.592 HD11 ' CD2' ' A' ' 57' ' ' LEU . 70.1 mt -73.45 -42.73 56.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.165 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -68.04 -22.8 64.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -73.36 -40.26 64.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.934 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.439 ' HB1' ' O ' ' A' ' 36' ' ' GLY . . . -53.44 -29.45 35.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.104 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 85.48 -173.39 47.78 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.529 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -51.5 -35.64 41.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.861 0.362 . . . . 0.0 110.839 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.6 mtmm -52.21 -28.66 19.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.439 ' O ' ' HB1' ' A' ' 32' ' ' ALA . . . 84.21 -176.67 51.71 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.456 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.537 HD13 HG22 ' A' ' 42' ' ' VAL . 9.7 tt -145.42 149.33 16.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 0.0 111.143 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.545 ' CE3' ' HB2' ' A' ' 40' ' ' ARG . 5.6 t90 -81.71 131.71 35.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 38' ' ' TRP . 83.5 p -37.13 -46.58 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.862 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.545 ' HB2' ' CE3' ' A' ' 38' ' ' TRP . 28.9 mtp180 -61.37 -56.11 23.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.449 ' HB3' ' CG1' ' A' ' 37' ' ' ILE . 2.6 t70 -39.11 -29.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.541 HG11 HG13 ' A' ' 25' ' ' VAL . 23.8 t -72.43 -50.34 35.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.488 ' HD2' ' CD2' ' A' ' 50' ' ' LEU . 8.0 mtp-105 -37.91 -47.04 1.02 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -67.92 -54.84 15.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.948 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.9 mmtt -55.42 -62.97 1.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.929 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.484 ' CB ' HG22 ' A' ' 25' ' ' VAL . 92.1 p -63.49 -19.62 64.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.818 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 51.4 t30 62.79 27.49 16.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.471 HD11 ' CG ' ' A' ' 21' ' ' GLN . 49.5 mt -112.13 156.51 41.82 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.62 0.724 . . . . 0.0 110.901 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 157.45 60.35 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.703 2.269 . . . . 0.0 112.39 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.59 ' O ' HD13 ' A' ' 50' ' ' LEU . 0.4 OUTLIER -48.13 -48.34 34.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.875 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.4 t -53.5 -25.17 15.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.215 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.427 ' O ' HD12 ' A' ' 56' ' ' ILE . 13.9 mm-40 -87.43 -48.94 7.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.415 ' N ' HD12 ' A' ' 53' ' ' ILE . 1.7 mp -61.15 -33.71 57.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.446 ' CG ' ' CD1' ' A' ' 50' ' ' LEU . 11.3 m-20 -68.6 -53.47 22.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.442 ' HG3' ' N ' ' A' ' 56' ' ' ILE . 17.5 ptpt -65.78 -38.23 88.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.442 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 33.8 mt -68.64 -54.13 22.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.112 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.623 HD13 ' CE1' ' A' ' 80' ' ' TYR . 15.7 mt -51.93 -32.45 33.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.489 ' CE ' ' OE1' ' A' ' 61' ' ' GLU . 1.0 OUTLIER -78.46 -58.95 2.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.839 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -37.81 -41.48 0.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.7 mt -66.99 -46.9 73.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.931 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.499 ' OE2' ' N ' ' A' ' 68' ' ' ALA . 36.0 mt-10 -55.84 -17.69 6.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t -92.48 -29.49 16.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.9 mttm -86.64 14.97 6.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.7 mmtp 56.76 26.56 11.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.894 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.442 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 42.3 mt -90.81 -32.63 16.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.881 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.451 HD11 ' O ' ' A' ' 57' ' ' LEU . 21.2 pt -145.99 -175.71 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.163 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.4 pttt -158.33 162.33 37.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.499 ' N ' ' OE2' ' A' ' 61' ' ' GLU . . . -100.19 125.94 46.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.079 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 77.4 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.083 -179.995 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 10.2 t . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.86 0.362 . . . . 0.0 111.086 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.623 ' CE1' HD13 ' A' ' 57' ' ' LEU . 76.4 m-85 -124.91 141.16 52.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.941 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 19.2 ptp -152.11 174.92 13.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 17.9 mt -56.84 137.84 54.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -66.19 -39.3 89.6 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 21.3 t30 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.562 ' O ' HG23 ' A' ' 25' ' ' VAL . 2.9 mp0 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.774 0.321 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -70.02 -17.32 63.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.462 ' HG3' ' N ' ' A' ' 24' ' ' LEU . 15.8 ptmt -92.02 -44.27 8.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.462 ' N ' ' HG3' ' A' ' 23' ' ' LYS . 48.2 tp -58.05 -31.2 66.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.602 HG13 HG11 ' A' ' 42' ' ' VAL . 59.2 t -78.31 -41.44 26.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.535 ' CE1' ' HB3' ' A' ' 65' ' ' LEU . 52.8 t80 -60.51 -35.58 76.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -67.5 -31.91 72.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.539 HD13 ' HB2' ' A' ' 45' ' ' LYS . 39.6 mt -73.74 -38.87 52.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.117 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.628 HD13 HD13 ' A' ' 66' ' ' ILE . 74.1 mt -63.81 -55.23 23.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.33 -24.73 60.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -69.79 -37.87 76.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.546 ' HB1' ' O ' ' A' ' 36' ' ' GLY . . . -55.91 -39.26 71.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.55 -173.61 40.56 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.479 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -43.06 -47.62 5.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.88 0.371 . . . . 0.0 110.88 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 56.2 mttm -45.29 -39.89 7.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.546 ' O ' ' HB1' ' A' ' 32' ' ' ALA . . . 92.66 -174.37 36.18 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.515 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.432 ' HB ' ' HB2' ' A' ' 32' ' ' ALA . 14.4 tt -144.32 154.31 15.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.818 0.342 . . . . 0.0 111.12 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.545 ' CZ3' ' HD2' ' A' ' 40' ' ' ARG . 6.1 t90 -88.03 129.64 35.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 38' ' ' TRP . 1.9 t -34.91 -46.0 0.29 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.545 ' HD2' ' CZ3' ' A' ' 38' ' ' TRP . 78.0 mtt-85 -60.39 -60.31 4.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 40' ' ' ARG . 10.4 t0 -36.64 -31.43 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.602 HG11 HG13 ' A' ' 25' ' ' VAL . 93.4 t -70.96 -54.07 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.084 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 42' ' ' VAL . 13.4 mtm105 -35.47 -49.39 0.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -64.94 -53.76 41.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.966 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.539 ' HB2' HD13 ' A' ' 28' ' ' ILE . 59.2 mmtt -56.73 -63.12 1.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.912 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.442 ' CB ' HG22 ' A' ' 25' ' ' VAL . 91.8 p -62.04 -25.89 67.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.885 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 68.56 28.9 5.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.5 ' HB2' HD11 ' A' ' 53' ' ' ILE . 50.8 mt -112.14 156.6 41.7 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.623 0.725 . . . . 0.0 110.87 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 158.19 57.74 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.703 2.269 . . . . 0.0 112.31 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.667 HD13 ' C ' ' A' ' 50' ' ' LEU . 3.2 tm? -49.2 -46.27 45.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.941 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.6 t -55.9 -22.48 26.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.101 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.466 ' O ' HD12 ' A' ' 56' ' ' ILE . 39.8 mm-40 -89.83 -47.13 8.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.5 HD11 ' HB2' ' A' ' 48' ' ' LEU . 1.7 mp -64.63 -25.2 37.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.169 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.579 ' ND2' HD11 ' A' ' 50' ' ' LEU . 9.3 m-20 -75.13 -52.18 11.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 56' ' ' ILE . 9.2 pttp -67.92 -35.52 78.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.467 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 43.3 mt -71.73 -54.47 16.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.13 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.514 ' O ' HD11 ' A' ' 66' ' ' ILE . 26.0 mt -48.58 -44.71 37.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.893 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' A' ' 61' ' ' GLU . 34.6 tttp -71.55 -62.36 1.44 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 55' ' ' LYS . 2.1 m-80 -35.04 -44.39 0.23 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 71.0 mt -62.71 -45.35 93.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.65 ' OE2' ' HB2' ' A' ' 68' ' ' ALA . 47.5 mt-10 -56.98 -19.32 17.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 t -88.85 -28.3 20.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.824 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.9 mttm -86.13 14.44 6.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 33.2 mmtm 57.32 29.45 16.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.911 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.535 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 20.8 mt -93.76 -39.78 10.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.628 HD13 HD13 ' A' ' 29' ' ' ILE . 24.5 pt -138.81 -177.29 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.156 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.412 ' CD ' ' HA ' ' A' ' 83' ' ' TYR . 1.5 ptmt -152.2 169.42 22.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.65 ' HB2' ' OE2' ' A' ' 61' ' ' GLU . . . -108.76 121.54 45.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.132 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 97.1 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.087 -179.976 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 10.4 t . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.817 0.341 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.511 ' CE1' HD13 ' A' ' 57' ' ' LEU . 95.5 m-85 -126.16 149.23 49.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.978 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 10.6 ptp -162.83 170.26 18.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.7 mt -48.19 142.44 5.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.418 ' N ' ' HA ' ' A' ' 66' ' ' ILE . 55.7 t80 -67.65 -43.34 80.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.902 179.981 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.761 ' O ' HG23 ' A' ' 25' ' ' VAL . 90.7 mt-30 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.747 0.308 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.471 ' OE1' HD21 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -58.05 -33.42 69.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.9 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.2 mtpp -73.3 -61.02 1.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 51.3 tp -44.78 -38.94 4.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.818 HG21 HD13 ' A' ' 56' ' ' ILE . 47.6 t -68.92 -52.45 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.464 ' HA ' HD12 ' A' ' 29' ' ' ILE . 59.4 t80 -56.87 -31.68 65.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 41.0 mm-40 -71.62 -30.47 65.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.631 HD13 ' CB ' ' A' ' 45' ' ' LYS . 43.4 mt -77.81 -32.25 17.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.155 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.542 HD13 HD13 ' A' ' 66' ' ' ILE . 52.8 mt -68.31 -53.3 29.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.136 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -56.64 -31.66 64.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.865 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -66.04 -34.34 77.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.894 ' HB1' ' O ' ' A' ' 36' ' ' GLY . . . -53.47 -37.14 62.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.158 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 84.22 -175.04 51.18 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.462 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -42.27 -44.68 3.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.873 0.368 . . . . 0.0 110.888 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 19.5 mtpt -47.98 -39.7 20.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.894 ' O ' ' HB1' ' A' ' 32' ' ' ALA . . . 94.95 -165.93 25.8 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.474 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.498 ' HB ' ' HB2' ' A' ' 32' ' ' ALA . 20.6 tt -153.11 139.93 12.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.835 0.35 . . . . 0.0 111.082 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.581 ' CZ3' ' HD3' ' A' ' 40' ' ' ARG . 1.0 OUTLIER -81.05 130.23 34.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.904 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.541 ' HA ' HD11 ' A' ' 57' ' ' LEU . 7.7 t -34.74 -42.65 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.841 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.581 ' HD3' ' CZ3' ' A' ' 38' ' ' TRP . 27.1 mtp85 -57.26 -55.84 29.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -40.85 -39.42 1.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.581 ' CG1' HG13 ' A' ' 25' ' ' VAL . 40.9 t -60.37 -53.47 48.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.153 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -38.16 -41.61 0.61 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.841 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -80.65 -57.47 3.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.972 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.631 ' CB ' HD13 ' A' ' 28' ' ' ILE . 50.8 mmtt -51.04 -60.78 2.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.865 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.499 ' CB ' HG22 ' A' ' 25' ' ' VAL . 17.5 m -69.44 -20.53 63.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 17.9 m120 64.8 28.69 12.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.469 HD13 ' CD1' ' A' ' 56' ' ' ILE . 19.8 mt -108.74 157.97 35.31 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.621 0.724 . . . . 0.0 110.876 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 155.19 66.73 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.672 2.248 . . . . 0.0 112.369 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.747 ' O ' HD13 ' A' ' 50' ' ' LEU . 2.2 tm? -46.98 -47.03 21.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.883 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 15.3 t -58.21 -25.87 62.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.587 ' O ' HD12 ' A' ' 56' ' ' ILE . 27.5 mm-40 -84.59 -40.59 17.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.8 mp -67.29 -34.0 66.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.154 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -68.72 -50.29 51.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 56' ' ' ILE . 17.9 ptpt -64.99 -42.5 94.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.818 HD13 HG21 ' A' ' 25' ' ' VAL . 29.7 mt -65.54 -58.32 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.159 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.747 HD13 ' CE1' ' A' ' 80' ' ' TYR . 33.5 mt -47.3 -39.39 14.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 59' ' ' ASN . 27.7 ttpt -75.68 -60.7 2.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 58' ' ' LYS . 15.0 m-80 -36.15 -47.99 0.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.912 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.471 HD21 ' OE1' ' A' ' 22' ' ' GLU . 65.0 mt -61.8 -48.28 81.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.601 ' OE2' ' HB2' ' A' ' 68' ' ' ALA . 7.7 mt-10 -51.12 -19.11 1.02 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.94 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 t -91.25 -33.78 15.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.839 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.6 mttp -79.93 12.08 2.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.3 mmmt 59.66 29.53 19.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 75.1 mt -94.28 -35.97 12.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.542 HD13 HD13 ' A' ' 29' ' ' ILE . 33.3 pt -144.08 -178.01 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.137 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.4 pttp -151.24 162.45 40.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.975 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.601 ' HB2' ' OE2' ' A' ' 61' ' ' GLU . . . -98.52 127.89 44.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.126 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 84.3 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.146 179.988 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 31.5 t . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.853 0.359 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.747 ' CE1' HD13 ' A' ' 57' ' ' LEU . 49.8 m-85 -134.4 149.13 50.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 10.1 ptp -159.74 175.03 13.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.892 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.4 mt -54.65 138.01 42.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -72.2 -27.49 62.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 31.7 m120 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.854 -179.983 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.566 ' O ' HG23 ' A' ' 25' ' ' VAL . 84.2 mt-30 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.778 0.323 . . . . 0.0 110.947 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -67.6 -24.12 65.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.448 ' HG3' ' N ' ' A' ' 24' ' ' LEU . 20.2 pttt -81.74 -34.29 30.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.448 ' N ' ' HG3' ' A' ' 23' ' ' LYS . 60.0 tp -72.22 -32.29 66.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.695 HG13 HG11 ' A' ' 42' ' ' VAL . 58.8 t -75.43 -44.87 41.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -59.16 -38.55 80.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.957 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.32 -38.12 88.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.937 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.435 HD13 ' HB2' ' A' ' 45' ' ' LYS . 20.1 mt -71.56 -35.01 54.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.169 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 92.9 mt -63.64 -48.93 84.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.098 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -63.89 -24.83 67.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -69.75 -38.08 76.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.574 ' HB1' ' O ' ' A' ' 36' ' ' GLY . . . -53.14 -38.14 62.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.084 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.54 -179.84 41.95 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.485 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.48 ' O ' ' CE ' ' A' ' 81' ' ' MET . 5.7 t-20 -45.14 -35.45 3.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.884 0.373 . . . . 0.0 110.851 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 27.2 mmtp -51.42 -45.2 62.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.574 ' O ' ' HB1' ' A' ' 32' ' ' ALA . . . 104.09 -175.24 22.9 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.445 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.527 ' O ' HG13 ' A' ' 79' ' ' VAL . 17.2 tt -148.12 151.81 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.842 0.353 . . . . 0.0 111.166 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.463 ' O ' ' N ' ' A' ' 41' ' ' ASP . 9.3 t90 -92.29 128.01 37.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.428 ' HA ' HD11 ' A' ' 57' ' ' LEU . 76.2 p -38.94 -38.9 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.431 ' O ' ' CE2' ' A' ' 44' ' ' TYR . 34.7 ttm-85 -62.24 -41.57 98.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 38' ' ' TRP . 5.5 t70 -59.13 -42.44 90.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.695 HG11 HG13 ' A' ' 25' ' ' VAL . 54.6 t -58.1 -49.96 79.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.159 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.479 ' CZ ' ' HB3' ' A' ' 43' ' ' ARG . 6.8 mtp-105 -35.2 -45.75 0.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.431 ' CE2' ' O ' ' A' ' 40' ' ' ARG . 4.4 m-85 -74.08 -55.83 5.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.435 ' HB2' HD13 ' A' ' 28' ' ' ILE . 0.7 OUTLIER -55.1 -63.17 1.24 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.898 179.914 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.547 ' CB ' HG22 ' A' ' 25' ' ' VAL . 78.2 p -60.92 -15.64 33.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 51.8 t30 56.2 36.07 26.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.931 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.534 HD11 ' HB3' ' A' ' 21' ' ' GLN . 28.1 mt -120.26 157.62 52.97 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.559 0.695 . . . . 0.0 110.953 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 155.78 65.11 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.681 2.254 . . . . 0.0 112.351 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.623 HD13 ' C ' ' A' ' 50' ' ' LEU . 3.0 tm? -47.48 -47.48 27.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.922 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.8 t -57.08 -24.73 56.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.164 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.503 ' O ' HD12 ' A' ' 56' ' ' ILE . 26.7 mm-40 -86.03 -40.95 15.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.7 mp -67.09 -33.16 61.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.147 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -68.92 -54.85 13.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.3 ptmm? -63.47 -37.6 87.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.921 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.591 HD13 HG21 ' A' ' 25' ' ' VAL . 59.2 mt -69.64 -55.22 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.539 ' O ' HD11 ' A' ' 66' ' ' ILE . 41.6 mt -51.79 -36.31 47.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 59' ' ' ASN . 25.2 ttpt -71.92 -61.85 1.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.43 ' C ' ' O ' ' A' ' 58' ' ' LYS . 16.3 m-20 -35.05 -55.18 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.463 HD23 HD12 ' A' ' 65' ' ' LEU . 25.7 mt -55.9 -45.74 78.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.938 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 58' ' ' LYS . 54.7 mt-10 -58.2 -23.74 56.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.919 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.0 t -95.07 -24.73 16.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.4 mtpp -88.48 20.17 3.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.944 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.7 mmtt 52.42 44.0 30.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.463 HD12 HD23 ' A' ' 60' ' ' LEU . 70.8 mt -113.65 -31.74 6.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.933 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.539 HD11 ' O ' ' A' ' 57' ' ' LEU . 34.0 pt -147.54 -176.79 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.166 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 43.1 pttt -156.93 166.03 34.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -94.59 127.99 40.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.103 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 72.7 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.084 -179.982 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.527 HG13 ' O ' ' A' ' 37' ' ' ILE . 15.1 t . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.842 0.353 . . . . 0.0 111.123 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.476 ' CE1' HD13 ' A' ' 57' ' ' LEU . 39.6 m-85 -129.88 149.44 51.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.48 ' CE ' ' O ' ' A' ' 34' ' ' ASN . 7.6 ptp -157.12 167.75 29.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 28.4 mt -51.12 137.53 21.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.458 ' N ' ' HA ' ' A' ' 66' ' ' ILE . 25.9 t80 -75.8 -29.05 58.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.824 -179.969 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.515 ' O ' HG23 ' A' ' 25' ' ' VAL . 7.5 mp0 . . . . . 0 C--O 1.23 0.039 0 CA-C-O 120.769 0.318 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -67.77 -19.63 65.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 24' ' ' LEU . 12.7 ptmt -87.91 -33.8 18.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.406 ' N ' ' HG3' ' A' ' 23' ' ' LYS . 69.0 tp -74.29 -25.96 59.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 21' ' ' GLN . 92.1 t -81.43 -41.89 19.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.102 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.56 ' CE1' ' HB3' ' A' ' 65' ' ' LEU . 45.9 t80 -63.0 -23.37 67.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -83.8 -25.32 30.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.946 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.546 HG21 ' CB ' ' A' ' 45' ' ' LYS . 24.6 mt -81.52 -29.88 10.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.12 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.69 HG23 ' O ' ' A' ' 80' ' ' TYR . 37.0 mt -72.2 -48.4 49.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -60.54 -24.12 65.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -69.93 -38.31 76.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.55 ' HB1' ' O ' ' A' ' 36' ' ' GLY . . . -54.07 -33.89 58.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.1 -172.88 42.33 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.464 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.7 p-10 -49.23 -35.63 18.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.866 0.365 . . . . 0.0 110.908 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 29.1 mtmt -56.31 -31.55 63.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.55 ' O ' ' HB1' ' A' ' 32' ' ' ALA . . . 83.24 -173.61 51.92 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.535 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.476 HG12 ' N ' ' A' ' 38' ' ' TRP . 13.4 tt -145.66 157.86 12.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.772 0.32 . . . . 0.0 111.155 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.573 ' CH2' ' HD3' ' A' ' 40' ' ' ARG . 5.6 t90 -88.48 141.11 28.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.3 t -41.56 -56.88 2.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.573 ' HD3' ' CH2' ' A' ' 38' ' ' TRP . 1.0 OUTLIER -51.97 -62.25 1.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 40' ' ' ARG . 42.8 t0 -34.38 -38.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.498 HG11 HG13 ' A' ' 25' ' ' VAL . 19.9 t -63.12 -52.24 61.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.126 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 47' ' ' ASN . 30.5 mtp180 -34.27 -58.98 0.46 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -55.85 -51.79 66.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.939 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.546 ' CB ' HG21 ' A' ' 28' ' ' ILE . 46.5 mmtt -55.01 -63.21 1.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.888 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.466 ' HB3' HG22 ' A' ' 25' ' ' VAL . 51.0 p -68.58 -10.16 54.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 43' ' ' ARG . 19.8 t-20 56.11 26.58 10.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.413 ' HB2' HD11 ' A' ' 53' ' ' ILE . 28.9 mt -109.35 156.78 38.85 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.602 0.715 . . . . 0.0 110.887 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 157.37 60.59 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.657 2.238 . . . . 0.0 112.362 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.593 HD13 ' C ' ' A' ' 50' ' ' LEU . 3.4 tm? -48.58 -46.59 39.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.6 t -57.25 -23.84 50.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.151 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.522 ' O ' HD12 ' A' ' 56' ' ' ILE . 38.9 mm-40 -87.88 -41.75 12.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.413 HD11 ' HB2' ' A' ' 48' ' ' LEU . 1.7 mp -68.37 -30.18 46.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.098 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -72.02 -53.25 13.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 56' ' ' ILE . 0.2 OUTLIER -66.27 -36.7 83.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 179.92 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.522 HD12 ' O ' ' A' ' 52' ' ' GLU . 60.6 mt -70.26 -54.52 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.161 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.581 HD13 ' CE2' ' A' ' 80' ' ' TYR . 35.7 mt -50.51 -41.77 53.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 59' ' ' ASN . 22.7 ttmt -65.6 -60.47 2.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 58' ' ' LYS . 2.2 m-80 -35.2 -50.44 0.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 71.4 mt -56.84 -47.67 79.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 58' ' ' LYS . 41.6 mt-10 -55.78 -16.48 4.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.2 t -91.17 -25.69 19.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.8 mttm -91.45 13.19 18.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.6 mttp 59.42 26.27 15.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.904 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.56 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 70.8 mt -89.17 -32.59 17.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.434 HD12 ' HB3' ' A' ' 80' ' ' TYR . 19.4 pt -145.45 -175.36 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.9 pttm -160.64 158.25 28.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.417 ' N ' ' OE2' ' A' ' 61' ' ' GLU . . . -92.83 123.59 36.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.101 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 86.7 t . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.093 -179.973 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.459 HG13 ' N ' ' A' ' 37' ' ' ILE . 46.2 t . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.856 0.36 . . . . 0.0 111.135 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.69 ' O ' HG23 ' A' ' 29' ' ' ILE . 94.5 m-85 -109.85 113.16 25.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 19.0 ptp -127.13 176.12 7.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 28.6 mt -56.62 138.03 52.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -71.35 -28.5 64.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 23.8 t30 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 -179.988 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.476 ' O ' HG23 ' A' ' 25' ' ' VAL . 88.0 mt-30 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.715 0.293 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -52.62 -31.29 35.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.01 -60.34 2.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.909 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 44.5 tp -46.63 -31.46 2.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.634 HG21 HD13 ' A' ' 56' ' ' ILE . 95.1 t -75.81 -49.56 25.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.146 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.41 ' HA ' HD12 ' A' ' 29' ' ' ILE . 76.7 t80 -58.5 -34.07 70.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.921 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -69.17 -31.71 70.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 31.5 mt -76.31 -32.79 22.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.107 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.549 HG23 ' O ' ' A' ' 80' ' ' TYR . 51.3 mt -69.54 -56.39 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.16 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.618 ' HB2' HD11 ' A' ' 82' ' ' LEU . 13.5 pt-20 -58.3 -31.78 67.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -62.99 -37.47 87.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.403 ' HB1' ' O ' ' A' ' 36' ' ' GLY . . . -53.15 -39.3 63.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.088 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.5 -165.61 26.2 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.483 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -52.74 -45.68 67.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.95 0.405 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.3 mmtt -48.12 -37.2 14.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.403 ' O ' ' HB1' ' A' ' 32' ' ' ALA . . . 88.39 -174.13 43.08 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.517 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.474 HG12 ' N ' ' A' ' 38' ' ' TRP . 14.2 tt -140.86 159.43 23.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.865 0.365 . . . . 0.0 111.099 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.564 ' CZ3' ' HD2' ' A' ' 40' ' ' ARG . 2.2 t90 -94.32 130.62 40.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 38' ' ' TRP . 31.5 t -34.14 -51.96 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.564 ' HD2' ' CZ3' ' A' ' 38' ' ' TRP . 37.2 mtt85 -57.4 -58.1 9.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.825 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 40' ' ' ARG . 1.7 t70 -35.88 -37.53 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.554 HG11 HG13 ' A' ' 25' ' ' VAL . 57.7 t -65.73 -53.22 40.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 42' ' ' VAL . 19.6 mtp180 -34.0 -51.13 0.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -66.19 -55.0 18.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -53.95 -63.23 1.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.474 ' OG ' HG22 ' A' ' 25' ' ' VAL . 1.9 m -62.82 -25.74 68.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.808 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 70.02 25.03 4.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 24.2 mt -108.09 157.14 36.97 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.581 0.705 . . . . 0.0 110.929 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 155.03 66.99 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.672 2.248 . . . . 0.0 112.319 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.742 ' O ' HD13 ' A' ' 50' ' ' LEU . 1.7 tm? -48.37 -46.06 36.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.7 t -55.63 -24.83 35.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.163 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.626 ' O ' HD12 ' A' ' 56' ' ' ILE . 31.8 mm-40 -87.07 -43.54 12.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.409 HD12 ' N ' ' A' ' 53' ' ' ILE . 1.7 mp -65.74 -39.16 84.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.127 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.598 ' ND2' HD11 ' A' ' 50' ' ' LEU . 11.1 m-20 -63.72 -51.36 65.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.851 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.479 ' HG3' ' N ' ' A' ' 56' ' ' ILE . 18.4 ptpt -64.67 -41.22 96.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.634 HD13 HG21 ' A' ' 25' ' ' VAL . 26.1 mt -66.26 -57.84 8.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.148 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.604 ' O ' HD11 ' A' ' 66' ' ' ILE . 46.0 mt -44.88 -40.51 6.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.954 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' A' ' 61' ' ' GLU . 18.1 ttmt -68.12 -64.88 0.77 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 58' ' ' LYS . 26.3 m-20 -35.16 -50.85 0.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.448 ' CB ' HG12 ' A' ' 66' ' ' ILE . 77.9 mt -57.3 -42.32 81.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.506 ' OE2' ' HB2' ' A' ' 68' ' ' ALA . 64.4 mt-10 -63.99 -24.18 67.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 t -90.73 -25.19 20.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.6 mtpp -91.09 21.57 4.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.907 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 60.3 mmtt 50.86 38.54 20.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 43.2 mt -106.38 -32.3 8.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.604 HD11 ' O ' ' A' ' 57' ' ' LEU . 18.9 pt -147.18 178.12 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.154 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 34.2 pttt -152.54 164.57 37.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.506 ' HB2' ' OE2' ' A' ' 61' ' ' GLU . . . -101.39 122.03 43.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 70.0 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 180.0 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 40.9 t . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.803 0.335 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.552 ' CE1' HD13 ' A' ' 57' ' ' LEU . 77.8 m-85 -117.62 123.75 46.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 14.9 ptp -134.69 177.97 7.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.874 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.618 HD11 ' HB2' ' A' ' 30' ' ' GLU . 8.4 mt -58.16 140.92 51.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.961 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -66.21 -33.77 76.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.934 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.7 m120 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.877 179.979 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.678 ' O ' HG23 ' A' ' 25' ' ' VAL . 81.0 mt-30 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.73 0.3 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -65.4 -26.48 68.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.856 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.6 mtmt -78.12 -60.21 2.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 35.2 tp -41.94 -38.98 1.72 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 21' ' ' GLN . 21.9 t -72.12 -46.64 57.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.466 ' CE1' ' HB3' ' A' ' 65' ' ' LEU . 60.0 t80 -59.3 -28.31 66.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -77.47 -43.59 31.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.902 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.629 HG21 ' CB ' ' A' ' 45' ' ' LYS . 25.7 mt -63.34 -37.78 80.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.491 HD13 HD13 ' A' ' 66' ' ' ILE . 74.0 mt -63.11 -58.81 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -52.47 -26.75 13.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -64.72 -42.22 95.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.431 ' HB2' ' HB ' ' A' ' 37' ' ' ILE . . . -53.52 -39.39 64.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.119 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.78 -160.08 30.96 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.476 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.528 ' O ' ' HE1' ' A' ' 81' ' ' MET . 5.1 m-20 -54.12 -47.49 71.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.9 0.381 . . . . 0.0 110.893 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.4 ptpt -45.04 -29.72 0.92 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.469 ' HA3' ' CG1' ' A' ' 79' ' ' VAL . . . 83.02 179.16 52.59 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.496 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.431 ' HB ' ' HB2' ' A' ' 32' ' ' ALA . 15.5 tt -136.23 150.33 27.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.835 0.35 . . . . 0.0 111.145 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.544 ' CE3' ' HB2' ' A' ' 40' ' ' ARG . 4.1 t90 -84.99 127.44 34.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 38' ' ' TRP . 86.1 p -35.0 -42.9 0.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.823 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.544 ' HB2' ' CE3' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -60.86 -57.93 10.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -39.58 -30.66 0.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.638 ' CG1' HG13 ' A' ' 25' ' ' VAL . 58.3 t -69.78 -41.92 79.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' A' ' 40' ' ' ARG . 40.9 mtp180 -48.77 -37.05 17.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.815 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -81.19 -63.38 1.42 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.629 ' CB ' HG21 ' A' ' 28' ' ' ILE . 14.6 mmmm -48.18 -55.1 11.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.468 ' N ' HD13 ' A' ' 28' ' ' ILE . 5.9 m -71.14 -14.35 62.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.799 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.6 m120 56.73 31.85 20.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 32.2 mt -117.05 156.26 48.55 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.588 0.709 . . . . 0.0 110.934 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 155.22 66.59 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.708 2.272 . . . . 0.0 112.366 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.5 HD13 ' C ' ' A' ' 50' ' ' LEU . 3.4 tm? -47.03 -49.42 21.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.918 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.3 t -54.03 -25.29 20.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.168 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.607 ' O ' HD12 ' A' ' 56' ' ' ILE . 35.3 mm-40 -87.32 -39.57 15.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.429 ' N ' HD12 ' A' ' 53' ' ' ILE . 1.8 mp -69.31 -33.84 59.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.133 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -67.64 -52.96 32.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.469 ' HG3' ' N ' ' A' ' 56' ' ' ILE . 16.6 ptpt -65.61 -41.78 92.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.607 HD12 ' O ' ' A' ' 52' ' ' GLU . 43.0 mt -65.86 -56.73 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.526 ' O ' HD11 ' A' ' 66' ' ' ILE . 33.8 mt -47.56 -43.36 25.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' A' ' 61' ' ' GLU . 8.7 tptp -67.71 -63.0 1.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 58' ' ' LYS . 15.1 m-80 -34.99 -51.18 0.51 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.888 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 65.5 mt -55.88 -42.88 76.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 58' ' ' LYS . 48.6 mt-10 -61.17 -17.84 55.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.2 t -90.8 -26.58 19.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.9 mttm -92.11 19.43 6.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.495 ' HG2' ' CE2' ' A' ' 83' ' ' TYR . 14.5 mtpp 53.67 31.76 13.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.466 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 23.6 mt -96.14 -28.28 14.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.949 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.526 HD11 ' O ' ' A' ' 57' ' ' LEU . 19.7 pt -153.04 176.95 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.9 pttp -150.86 160.99 43.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.898 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.485 ' HB2' ' OE2' ' A' ' 61' ' ' GLU . . . -98.71 127.65 44.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.079 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.506 HG21 ' HE3' ' A' ' 81' ' ' MET . 93.0 t . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.469 ' CG1' ' HA3' ' A' ' 36' ' ' GLY . 20.4 t . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.876 0.369 . . . . 0.0 111.109 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -135.46 136.15 41.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.528 ' HE1' ' O ' ' A' ' 34' ' ' ASN . 9.2 ptp -147.08 165.58 29.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.8 mt -43.83 144.81 0.78 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.495 ' CE2' ' HG2' ' A' ' 64' ' ' LYS . 22.7 t80 -73.73 -29.36 62.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 60.8 t-20 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 179.966 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.55 ' O ' HG23 ' A' ' 25' ' ' VAL . 2.9 mp0 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.725 0.298 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -70.44 -19.74 62.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.461 ' HG3' ' N ' ' A' ' 24' ' ' LEU . 3.1 pttp -82.15 -30.65 30.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.957 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.461 ' N ' ' HG3' ' A' ' 23' ' ' LYS . 27.9 tp -76.57 -26.66 55.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.6 HG13 HG11 ' A' ' 42' ' ' VAL . 37.1 t -80.68 -39.84 18.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.135 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -62.89 -39.08 93.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -63.55 -37.13 86.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.614 HD13 ' HB2' ' A' ' 45' ' ' LYS . 50.5 mt -68.85 -40.24 81.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.422 HG23 ' O ' ' A' ' 80' ' ' TYR . 64.4 mt -62.69 -52.89 54.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -58.59 -27.9 65.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -64.58 -40.24 95.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.443 ' HB1' ' O ' ' A' ' 36' ' ' GLY . . . -53.96 -39.82 66.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.87 -143.11 16.29 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.468 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -76.43 -24.82 53.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.922 0.391 . . . . 0.0 110.95 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 20.5 pttt -70.53 -5.98 32.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.443 ' O ' ' HB1' ' A' ' 32' ' ' ALA . . . 59.14 -175.56 2.99 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.44 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.65 HD13 HG22 ' A' ' 42' ' ' VAL . 13.1 tt -143.13 149.92 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.836 0.351 . . . . 0.0 111.115 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.467 ' CE3' ' HB3' ' A' ' 40' ' ' ARG . 12.9 t90 -80.89 137.55 36.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 65.6 p -43.67 -42.55 5.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.467 ' HB3' ' CE3' ' A' ' 38' ' ' TRP . 38.3 ttt180 -67.11 -55.59 13.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.879 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -41.18 -30.56 0.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.65 HG22 HD13 ' A' ' 37' ' ' ILE . 97.2 t -71.98 -51.28 31.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.167 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 42' ' ' VAL . 32.0 mtp180 -34.1 -54.29 0.49 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -59.84 -56.91 15.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.953 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.614 ' HB2' HD13 ' A' ' 28' ' ' ILE . 41.5 mmtt -51.91 -61.49 2.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.918 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 89.9 p -68.06 -11.92 59.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 54.05 26.94 6.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.523 HD21 ' HG3' ' A' ' 21' ' ' GLN . 36.1 mt -107.07 157.19 35.96 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.605 0.717 . . . . 0.0 110.934 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 155.17 66.68 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.747 2.298 . . . . 0.0 112.303 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.726 ' O ' HD13 ' A' ' 50' ' ' LEU . 0.5 OUTLIER -48.9 -44.26 40.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.916 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.6 t -58.38 -24.09 58.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.13 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.446 ' O ' HD12 ' A' ' 56' ' ' ILE . 7.3 mm-40 -87.18 -44.4 11.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.484 HD11 ' HB2' ' A' ' 48' ' ' LEU . 1.7 mp -66.22 -36.2 76.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.171 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.448 ' ND2' HD11 ' A' ' 50' ' ' LEU . 9.0 m-20 -68.17 -52.49 33.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -67.41 -37.67 83.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.446 HD12 ' O ' ' A' ' 52' ' ' GLU . 52.2 mt -70.15 -55.38 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.132 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.678 HD13 ' CE2' ' A' ' 80' ' ' TYR . 18.7 mt -45.2 -48.29 12.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 40.8 tttm -66.1 -57.99 6.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 26.1 m-20 -41.39 -29.32 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 84.1 mt -76.46 -44.84 33.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -58.59 -17.19 19.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.2 t -86.78 -35.03 19.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.4 mttp -80.9 12.1 3.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.586 ' HD2' ' CE2' ' A' ' 83' ' ' TYR . 17.0 mmtp 58.4 36.83 25.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.868 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 97.5 mt -101.43 -31.03 11.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.897 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.414 ' HA ' ' N ' ' A' ' 83' ' ' TYR . 5.9 pt -145.05 -175.02 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.2 ptmt -158.19 167.65 29.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -101.01 122.77 44.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.083 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 91.4 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.146 179.959 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 13.2 t . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.862 0.363 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.678 ' CE2' HD13 ' A' ' 57' ' ' LEU . 99.1 m-85 -122.34 128.73 51.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.946 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 9.4 ptp -138.44 174.0 11.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.904 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.6 mt -53.12 138.31 31.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.586 ' CE2' ' HD2' ' A' ' 64' ' ' LYS . 37.9 t80 -69.0 -26.46 65.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.865 -179.979 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.771 0.32 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -52.84 -16.52 1.03 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 31.9 mtpt -88.96 -58.33 2.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 37.7 tp -50.62 -28.06 8.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.608 HG21 HG21 ' A' ' 56' ' ' ILE . 91.6 t -79.41 -46.15 23.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.11 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.414 ' HA ' HD12 ' A' ' 29' ' ' ILE . 60.5 t80 -57.84 -39.09 76.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -67.39 -35.3 79.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.919 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.455 HD12 ' HA ' ' A' ' 25' ' ' VAL . 42.5 mt -68.15 -36.57 75.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.513 HD13 HG21 ' A' ' 66' ' ' ILE . 49.9 mt -65.91 -55.56 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.099 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -56.51 -24.45 46.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -67.64 -43.27 80.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.79 ' HB1' ' O ' ' A' ' 36' ' ' GLY . . . -53.78 -27.55 29.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.07 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.22 -153.26 26.39 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.463 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -65.42 -45.02 85.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.875 0.369 . . . . 0.0 110.901 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.6 mtmm -46.18 -38.46 8.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.79 ' O ' ' HB1' ' A' ' 32' ' ' ALA . . . 96.42 -167.13 24.57 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.488 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.494 HD13 HG22 ' A' ' 42' ' ' VAL . 15.8 tt -146.91 158.03 10.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.818 0.342 . . . . 0.0 111.162 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.51 ' CZ3' ' HD2' ' A' ' 40' ' ' ARG . 17.8 t90 -96.81 131.79 43.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 38' ' ' TRP . 3.7 t -35.31 -50.31 0.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.51 ' HD2' ' CZ3' ' A' ' 38' ' ' TRP . 7.1 ttm180 -54.06 -50.53 66.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.87 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -49.79 -51.78 37.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.544 HG11 HG13 ' A' ' 25' ' ' VAL . 73.2 t -53.02 -35.62 22.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.408 ' HA ' ' CD1' ' A' ' 53' ' ' ILE . 10.6 ttp180 -46.78 -67.07 0.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -60.85 -53.52 56.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.8 mmtm -44.11 -42.64 6.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 65.3 p -93.98 -7.82 41.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.835 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 56.84 26.92 12.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 67.6 mt -109.49 155.27 41.54 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.598 0.713 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 154.4 67.85 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.661 2.241 . . . . 0.0 112.374 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.658 ' O ' HD13 ' A' ' 50' ' ' LEU . 2.1 tm? -47.99 -45.55 31.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.4 t -54.69 -26.47 33.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -84.83 -48.61 9.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.47 HG22 HD12 ' A' ' 57' ' ' LEU . 1.8 mp -61.02 -29.29 45.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.16 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.475 ' ND2' ' CD1' ' A' ' 50' ' ' LEU . 17.0 m-20 -70.12 -55.27 9.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.46 ' HG3' ' N ' ' A' ' 56' ' ' ILE . 4.5 ptpp? -66.34 -34.16 77.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.608 HG21 HG21 ' A' ' 25' ' ' VAL . 57.3 mt -72.16 -52.08 26.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.489 HD13 ' CE2' ' A' ' 80' ' ' TYR . 32.9 mt -51.48 -38.88 56.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.497 ' O ' ' N ' ' A' ' 61' ' ' GLU . 20.1 tttp -68.73 -62.33 1.43 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 58' ' ' LYS . 2.1 m-80 -35.56 -50.63 0.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.457 ' CB ' HG12 ' A' ' 66' ' ' ILE . 66.4 mt -59.08 -41.2 87.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.981 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.564 ' OE2' ' HB2' ' A' ' 68' ' ' ALA . 53.3 mt-10 -64.97 -20.43 66.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 t -96.16 -25.58 15.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.3 mtpp -87.71 19.14 3.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.929 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt 52.91 35.11 18.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 40.0 mt -102.37 -36.79 8.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.513 HG21 HD13 ' A' ' 29' ' ' ILE . 17.5 pt -140.02 -175.15 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.117 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.9 pttm -160.63 158.59 29.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.564 ' HB2' ' OE2' ' A' ' 61' ' ' GLU . . . -93.15 125.35 37.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.064 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 53.3 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.071 -179.984 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 10.3 t . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.885 0.374 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.495 ' HB3' HD12 ' A' ' 66' ' ' ILE . 97.9 m-85 -132.59 132.69 42.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 12.4 ptp -145.49 162.24 37.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.9 mt -45.36 143.48 1.76 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -77.8 -32.71 52.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.5 t30 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 179.977 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.935 ' N ' HE21 ' A' ' 21' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.762 0.315 . . . . 0.0 110.904 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -70.6 -22.79 62.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.55 -37.73 12.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 27.9 tp -62.1 -34.05 75.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.657 HG22 ' CB ' ' A' ' 46' ' ' SER . 95.3 t -76.32 -43.96 36.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.136 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.552 ' CE1' ' HB3' ' A' ' 65' ' ' LEU . 59.3 t80 -58.41 -26.51 63.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.882 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -80.45 -29.8 37.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.928 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 28.6 mt -75.44 -34.48 30.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.491 HD13 HD13 ' A' ' 66' ' ' ILE . 53.5 mt -64.06 -55.2 23.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.146 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.478 ' HB2' HD11 ' A' ' 82' ' ' LEU . 10.2 pt-20 -57.31 -36.04 70.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -56.06 -39.06 71.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.771 ' HB1' ' O ' ' A' ' 36' ' ' GLY . . . -53.34 -38.89 63.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.1 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.83 -174.43 34.46 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.467 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -45.5 -44.42 12.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.85 0.357 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.4 mmmt -48.44 -43.1 34.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.771 ' O ' ' HB1' ' A' ' 32' ' ' ALA . . . 99.58 -165.26 20.16 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.43 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.59 HD13 HG22 ' A' ' 42' ' ' VAL . 15.2 tt -148.95 155.38 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.767 0.318 . . . . 0.0 111.15 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.412 ' N ' HG12 ' A' ' 37' ' ' ILE . 10.1 t90 -88.62 137.03 32.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.956 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.7 p -39.51 -47.51 1.88 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 42' ' ' VAL . 23.7 mtm180 -64.84 -55.86 16.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -38.08 -29.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.59 HG22 HD13 ' A' ' 37' ' ' ILE . 93.4 t -74.48 -53.43 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.175 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 42' ' ' VAL . 22.9 mtp180 -34.38 -48.72 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -65.14 -58.45 5.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.1 mmtp -53.16 -61.14 2.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.881 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.657 ' CB ' HG22 ' A' ' 25' ' ' VAL . 71.3 p -66.21 -4.95 8.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.838 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 47.5 t30 45.4 33.85 1.39 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.2 mt -116.62 156.57 47.52 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.634 0.731 . . . . 0.0 110.933 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 155.01 66.99 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.624 2.216 . . . . 0.0 112.323 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.528 HD13 ' C ' ' A' ' 50' ' ' LEU . 3.2 tm? -47.87 -48.08 31.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.966 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.7 t -55.08 -24.1 23.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.176 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.643 ' O ' HD12 ' A' ' 56' ' ' ILE . 6.4 mm-40 -87.96 -42.31 12.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.502 HG22 HD12 ' A' ' 57' ' ' LEU . 1.7 mp -66.5 -33.32 62.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.167 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -66.72 -54.01 27.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.454 ' HG3' ' N ' ' A' ' 56' ' ' ILE . 17.3 ptpt -62.77 -41.32 99.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.643 HD12 ' O ' ' A' ' 52' ' ' GLU . 23.6 mt -67.28 -57.3 10.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.725 ' O ' HD11 ' A' ' 66' ' ' ILE . 41.4 mt -47.74 -44.55 28.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 59' ' ' ASN . 21.4 mtpp -73.14 -62.1 1.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 58' ' ' LYS . 26.7 m-20 -34.99 -48.95 0.43 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 67.3 mt -60.47 -47.18 87.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.937 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.537 ' OE2' ' HB2' ' A' ' 68' ' ' ALA . 50.7 mt-10 -52.48 -20.26 2.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.2 t -88.24 -32.66 18.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.816 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.7 mttp -82.52 18.4 1.51 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 50.6 mmtt 54.03 37.95 27.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.906 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.552 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 82.7 mt -104.18 -31.76 9.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.725 HD11 ' O ' ' A' ' 57' ' ' LEU . 13.8 pt -148.09 177.41 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.109 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.5 pttt -150.97 162.2 41.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.537 ' HB2' ' OE2' ' A' ' 61' ' ' GLU . . . -101.26 120.1 39.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.124 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 87.3 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.162 179.962 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 41.3 t . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.88 0.371 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.611 ' CE2' HD13 ' A' ' 57' ' ' LEU . 98.8 m-85 -124.25 131.57 53.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 21.1 ptp -142.17 177.02 8.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.832 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.478 HD11 ' HB2' ' A' ' 30' ' ' GLU . 12.3 mt -57.29 141.91 45.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -67.94 -45.81 73.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 41.5 t-20 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.982 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.548 ' HG2' HD21 ' A' ' 48' ' ' LEU . 60.0 mt-30 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.784 0.326 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.488 ' OE2' HG23 ' A' ' 56' ' ' ILE . 10.2 tp10 -65.6 -20.65 66.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.4 pttt -83.44 -35.61 24.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.8 tp -70.56 -36.26 73.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.701 HG13 ' CG1' ' A' ' 42' ' ' VAL . 28.8 t -74.83 -45.84 42.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.46 ' CE1' ' HB3' ' A' ' 65' ' ' LEU . 61.6 t80 -58.02 -28.39 64.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.936 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -79.23 -43.77 23.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.907 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.456 HG21 ' HB2' ' A' ' 45' ' ' LYS . 33.6 mt -64.04 -30.86 51.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.114 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.487 HD11 HG12 ' A' ' 25' ' ' VAL . 54.3 mt -71.52 -52.85 23.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.125 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -58.89 -25.92 63.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -68.36 -33.83 74.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.737 ' HB1' ' O ' ' A' ' 36' ' ' GLY . . . -58.36 -31.15 67.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.13 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 82.86 -165.08 43.42 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.482 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -53.76 -43.98 69.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.843 0.354 . . . . 0.0 110.881 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 68.5 mttt -47.93 -35.93 11.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.737 ' O ' ' HB1' ' A' ' 32' ' ' ALA . . . 92.05 -173.08 35.85 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.467 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.555 ' HB ' ' HB2' ' A' ' 32' ' ' ALA . 13.1 tt -143.18 151.53 17.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.788 0.328 . . . . 0.0 111.144 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.567 ' CH2' ' HD2' ' A' ' 40' ' ' ARG . 7.7 t90 -84.64 136.75 33.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 55.6 p -40.34 -44.16 1.89 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.858 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.567 ' HD2' ' CH2' ' A' ' 38' ' ' TRP . 24.5 mtt180 -64.26 -52.98 56.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.65 -21.74 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.701 ' CG1' HG13 ' A' ' 25' ' ' VAL . 85.1 t -80.91 -38.11 16.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 47' ' ' ASN . 37.1 mtm180 -54.21 -53.11 58.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -61.85 -66.03 0.6 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.96 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.456 ' HB2' HG21 ' A' ' 28' ' ' ILE . 20.7 mmtm -45.45 -50.86 12.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.887 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.8 m -75.0 -16.61 60.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.408 ' N ' ' O ' ' A' ' 43' ' ' ARG . 4.7 m120 56.81 26.5 11.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.877 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.548 HD21 ' HG2' ' A' ' 21' ' ' GLN . 31.0 mt -108.53 157.22 37.16 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.602 0.715 . . . . 0.0 110.91 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 154.68 67.25 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.671 2.248 . . . . 0.0 112.347 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.726 ' O ' HD13 ' A' ' 50' ' ' LEU . 2.0 tm? -47.65 -46.75 29.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.1 t -54.1 -26.24 26.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.101 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.405 ' O ' HD12 ' A' ' 56' ' ' ILE . 35.7 mm-40 -86.08 -45.24 11.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.919 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.402 HD12 ' N ' ' A' ' 53' ' ' ILE . 1.7 mp -63.73 -31.76 54.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.155 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.654 ' ND2' HD11 ' A' ' 50' ' ' LEU . 15.5 m-20 -71.27 -51.39 24.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -66.33 -39.54 89.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.666 HD13 HG21 ' A' ' 25' ' ' VAL . 47.4 mt -68.32 -56.7 11.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.702 ' O ' HD11 ' A' ' 66' ' ' ILE . 35.5 mt -47.7 -36.1 10.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 59' ' ' ASN . 7.8 ttpp -76.07 -62.74 1.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.948 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 58' ' ' LYS . 15.7 m-80 -35.08 -55.21 0.6 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.535 ' CD2' HD12 ' A' ' 65' ' ' LEU . 83.6 mt -54.0 -49.21 69.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.638 ' OE2' ' HB2' ' A' ' 68' ' ' ALA . 46.3 mt-10 -52.27 -27.36 14.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 t -90.57 -28.9 18.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.8 mtpp -85.93 22.12 1.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.481 ' HG2' ' CE2' ' A' ' 83' ' ' TYR . 32.0 mtpt 50.22 42.7 25.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.535 HD12 ' CD2' ' A' ' 60' ' ' LEU . 76.0 mt -112.25 -28.19 8.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.702 HD11 ' O ' ' A' ' 57' ' ' LEU . 18.8 pt -151.48 -175.02 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.6 158.28 33.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.638 ' HB2' ' OE2' ' A' ' 61' ' ' GLU . . . -96.28 122.12 38.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 63.7 t . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 179.984 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.418 HG12 ' N ' ' A' ' 80' ' ' TYR . 14.6 t . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.829 0.347 . . . . 0.0 111.178 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.546 ' CE2' HD13 ' A' ' 57' ' ' LEU . 97.4 m-85 -134.67 146.52 49.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 7.5 ptp -159.38 175.69 13.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.6 mt -54.89 132.58 46.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.481 ' CE2' ' HG2' ' A' ' 64' ' ' LYS . 23.2 t80 -56.69 -39.68 74.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.979 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.648 ' O ' HG23 ' A' ' 25' ' ' VAL . 66.2 mt-30 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.785 0.326 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -68.71 -14.23 62.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 24' ' ' LEU . 21.0 pttt -88.64 -36.08 16.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.431 ' N ' ' HG3' ' A' ' 23' ' ' LYS . 51.8 tp -73.37 -32.36 64.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.767 HG21 HG21 ' A' ' 56' ' ' ILE . 36.3 t -74.07 -40.46 51.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.155 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.432 ' CE1' ' HB3' ' A' ' 65' ' ' LEU . 31.3 t80 -63.69 -27.57 69.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -77.07 -44.98 28.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.927 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.645 HG21 ' CB ' ' A' ' 45' ' ' LYS . 22.0 mt -61.03 -36.36 71.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.089 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.761 HG23 ' O ' ' A' ' 80' ' ' TYR . 52.5 mt -65.04 -57.48 10.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -55.07 -28.09 49.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -64.69 -38.9 92.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.522 ' HB1' ' O ' ' A' ' 36' ' ' GLY . . . -53.18 -40.13 64.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.1 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.49 -172.52 37.76 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.539 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -46.04 -36.61 5.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.915 0.388 . . . . 0.0 110.874 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -56.46 -37.38 70.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.522 ' O ' ' HB1' ' A' ' 32' ' ' ALA . . . 89.45 179.1 45.25 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.486 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.502 ' O ' HG13 ' A' ' 79' ' ' VAL . 19.0 tt -132.2 157.84 43.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.827 0.346 . . . . 0.0 111.113 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.521 ' CZ3' ' HD2' ' A' ' 40' ' ' ARG . 3.6 t90 -91.52 132.73 36.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.488 ' HA ' HD11 ' A' ' 57' ' ' LEU . 78.2 p -34.55 -58.24 0.49 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.521 ' HD2' ' CZ3' ' A' ' 38' ' ' TRP . 77.5 mtt-85 -52.04 -58.15 7.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 40' ' ' ARG . 4.9 t0 -34.56 -37.75 0.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.474 HG21 HD21 ' A' ' 57' ' ' LEU . 93.6 t -63.13 -48.01 89.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.48 ' N ' ' O ' ' A' ' 40' ' ' ARG . 27.1 mtp180 -42.48 -42.98 3.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -76.35 -58.1 3.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.645 ' CB ' HG21 ' A' ' 28' ' ' ILE . 14.0 mmmm -50.02 -61.22 2.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.467 ' N ' HD13 ' A' ' 28' ' ' ILE . 41.9 m -66.39 -22.36 66.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.887 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 67.16 26.49 8.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 31.1 mt -110.91 156.95 39.94 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.594 0.711 . . . . 0.0 110.943 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 153.67 68.78 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.749 2.299 . . . . 0.0 112.308 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.745 ' O ' HD13 ' A' ' 50' ' ' LEU . 1.1 tm? -46.28 -49.19 17.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.6 t -50.26 -28.43 7.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.166 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -86.28 -45.79 10.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.403 HD12 ' N ' ' A' ' 53' ' ' ILE . 1.8 mp -61.63 -33.66 58.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.104 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.526 ' ND2' HD11 ' A' ' 50' ' ' LEU . 9.5 m-20 -67.93 -53.13 28.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.472 ' HG3' ' N ' ' A' ' 56' ' ' ILE . 7.3 ptpp? -68.68 -34.22 75.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.767 HG21 HG21 ' A' ' 25' ' ' VAL . 57.6 mt -71.99 -50.17 39.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.117 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.915 HD13 ' CE2' ' A' ' 80' ' ' TYR . 16.3 mt -53.83 -40.93 66.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.947 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 59' ' ' ASN . 1.0 OUTLIER -69.45 -59.87 2.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.946 179.808 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 58' ' ' LYS . 27.1 m-20 -35.13 -59.02 0.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.445 ' CB ' HG12 ' A' ' 66' ' ' ILE . 90.2 mt -51.17 -48.11 61.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.474 ' OE2' ' N ' ' A' ' 68' ' ' ALA . 30.7 mt-10 -57.0 -15.47 5.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t -98.83 -32.22 11.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -78.36 9.48 3.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt 62.98 41.56 8.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.432 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 73.2 mt -112.64 -35.05 5.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.697 HD12 ' HB3' ' A' ' 80' ' ' TYR . 23.4 pt -140.15 176.62 5.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.45 ' HE3' ' CG2' ' A' ' 69' ' ' VAL . 46.5 pttt -153.18 165.15 36.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.474 ' N ' ' OE2' ' A' ' 61' ' ' GLU . . . -94.21 120.56 34.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.072 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.45 ' CG2' ' HE3' ' A' ' 67' ' ' LYS . 77.7 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.114 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.502 HG13 ' O ' ' A' ' 37' ' ' ILE . 39.8 t . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.837 0.351 . . . . 0.0 111.11 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.915 ' CE2' HD13 ' A' ' 57' ' ' LEU . 92.2 m-85 -115.09 113.75 24.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.925 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 16.6 ptp -127.62 172.79 10.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 15.8 mt -49.37 136.51 15.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -75.64 -30.9 59.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.936 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.664 ' O ' HG23 ' A' ' 25' ' ' VAL . 2.0 mp0 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.773 0.321 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -66.46 -25.41 66.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.479 ' HG3' ' N ' ' A' ' 24' ' ' LEU . 16.6 ptmt -83.6 -44.65 14.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.479 ' N ' ' HG3' ' A' ' 23' ' ' LYS . 16.4 tp -60.36 -33.04 71.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 21' ' ' GLN . 57.3 t -76.05 -36.37 31.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.455 ' HA ' HD12 ' A' ' 29' ' ' ILE . 49.6 t80 -68.01 -33.01 73.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -72.84 -22.43 60.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 43.7 mt -84.04 -27.79 7.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.168 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.545 HD13 HD13 ' A' ' 66' ' ' ILE . 45.8 mt -73.73 -50.44 29.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.106 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -61.53 -24.45 66.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -72.3 -35.82 68.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.851 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.645 ' HB1' ' O ' ' A' ' 36' ' ' GLY . . . -53.21 -39.04 63.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.112 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.49 -171.31 41.62 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.475 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -49.65 -32.78 13.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.869 0.366 . . . . 0.0 110.893 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 66.7 mttt -56.06 -39.89 72.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.645 ' O ' ' HB1' ' A' ' 32' ' ' ALA . . . 94.88 -174.6 33.1 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.49 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.558 HD13 HG22 ' A' ' 42' ' ' VAL . 14.4 tt -147.26 140.99 19.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.792 0.33 . . . . 0.0 111.173 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.587 ' CZ3' ' HD3' ' A' ' 40' ' ' ARG . 0.9 OUTLIER -82.64 130.18 35.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.635 ' HA ' HD11 ' A' ' 57' ' ' LEU . 2.5 t -34.29 -42.16 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.826 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.587 ' HD3' ' CZ3' ' A' ' 38' ' ' TRP . 33.5 mtp180 -63.47 -55.05 27.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -40.41 -32.69 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.628 HG11 HG13 ' A' ' 25' ' ' VAL . 30.6 t -71.02 -54.84 16.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.142 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 42' ' ' VAL . 20.4 mtp180 -34.36 -43.54 0.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.836 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.41 ' CE2' ' O ' ' A' ' 40' ' ' ARG . 2.0 m-85 -73.72 -53.83 9.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.95 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.7 mmtm -57.66 -60.9 2.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.895 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.51 ' CB ' HG22 ' A' ' 25' ' ' VAL . 76.4 p -65.86 -16.02 63.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.787 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 52.4 m-80 57.89 25.62 12.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.441 ' HB2' HD11 ' A' ' 53' ' ' ILE . 26.9 mt -105.29 157.94 33.28 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.605 0.717 . . . . 0.0 110.939 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 154.39 67.51 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.678 2.252 . . . . 0.0 112.348 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.569 HD13 ' C ' ' A' ' 50' ' ' LEU . 3.4 tm? -47.25 -45.23 23.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.9 t -58.68 -26.25 63.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.165 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.586 ' O ' HD12 ' A' ' 56' ' ' ILE . 31.0 mm-40 -85.25 -41.34 15.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.441 HD11 ' HB2' ' A' ' 48' ' ' LEU . 1.7 mp -67.43 -29.99 47.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.172 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -73.07 -53.12 11.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.454 ' HG3' ' N ' ' A' ' 56' ' ' ILE . 22.2 pttt -65.32 -33.93 77.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.586 HD12 ' O ' ' A' ' 52' ' ' GLU . 50.0 mt -73.6 -53.57 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.13 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.828 HD13 ' CE1' ' A' ' 80' ' ' TYR . 16.9 mt -53.8 -28.73 36.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.6 ttpt -85.22 -57.6 3.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 55' ' ' LYS . 2.0 m-80 -38.9 -49.14 1.65 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.841 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 40.8 mt -58.48 -46.91 85.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.683 ' OE2' ' HB2' ' A' ' 68' ' ' ALA . 11.3 mt-10 -54.83 -17.43 3.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 t -89.34 -29.54 19.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.84 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.3 mttm -84.72 7.54 20.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 53.2 mmtt 65.29 29.03 11.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 50.0 mt -93.53 -37.58 11.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.967 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.545 HD13 HD13 ' A' ' 29' ' ' ILE . 44.8 pt -140.35 -176.44 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.149 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 36.9 pttt -153.97 161.44 41.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.683 ' HB2' ' OE2' ' A' ' 61' ' ' GLU . . . -97.12 130.22 44.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.108 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 80.3 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.14 179.975 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 6.8 t . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.828 0.347 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.828 ' CE1' HD13 ' A' ' 57' ' ' LEU . 89.2 m-85 -124.92 143.13 51.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 9.9 ptp -154.2 162.05 41.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.3 mt -44.1 139.04 2.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -74.24 -32.14 62.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.951 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.906 -179.992 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -126.05 169.65 12.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.887 0.375 . . . . 0.0 110.828 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.3 t -156.93 175.29 14.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.25 143.31 11.32 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.495 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 m -117.23 124.65 49.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.851 0.357 . . . . 0.0 110.896 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -111.98 85.46 2.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.86 92.8 0.52 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.489 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -133.71 144.58 49.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.778 0.323 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.441 ' C ' ' OE1' ' A' ' 10' ' ' GLN . 26.2 t -116.67 104.1 11.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.441 ' OE1' ' C ' ' A' ' 9' ' ' SER . 5.4 mp0 -132.21 98.05 4.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.939 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -143.71 128.56 18.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.71 -44.07 12.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.093 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 104.9 74.37 0.96 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.481 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -93.24 163.93 13.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.766 0.317 . . . . 0.0 110.933 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 5.3 ttp -106.49 135.84 47.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.4 tttt -63.65 165.41 8.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.852 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 105.15 125.79 5.63 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.478 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.5 p -84.4 3.22 36.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.907 0.384 . . . . 0.0 110.902 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -104.44 147.34 27.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -112.79 35.69 3.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.557 ' O ' HG23 ' A' ' 25' ' ' VAL . 5.1 mp0 -97.94 -46.12 6.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.585 ' HG3' HG23 ' A' ' 56' ' ' ILE . 13.3 tt0 -72.21 -16.17 61.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.4 pttp -87.16 -33.97 19.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.905 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 47.5 tp -72.45 -35.73 68.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.634 HG22 ' CB ' ' A' ' 46' ' ' SER . 40.4 t -72.13 -50.28 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.57 ' CE1' ' HB3' ' A' ' 65' ' ' LEU . 57.0 t80 -53.13 -36.8 61.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -67.01 -35.72 80.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.639 HD13 ' CB ' ' A' ' 45' ' ' LYS . 49.0 mt -71.73 -29.15 33.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.141 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.533 HD13 HD13 ' A' ' 66' ' ' ILE . 84.3 mt -71.6 -47.07 59.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.132 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 31' ' ' ASP . 3.4 pt-20 -63.53 -29.46 70.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.917 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.433 ' N ' ' HG3' ' A' ' 30' ' ' GLU . 4.4 t0 -65.33 -36.79 85.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.648 ' HB1' ' O ' ' A' ' 36' ' ' GLY . . . -54.68 -38.98 67.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.113 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.65 -167.31 36.77 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.49 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -49.0 -45.23 42.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.917 0.389 . . . . 0.0 110.892 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 27.5 mttp -47.68 -39.87 18.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.648 ' O ' ' HB1' ' A' ' 32' ' ' ALA . . . 92.57 -171.2 33.16 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.48 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.582 HD13 HG22 ' A' ' 42' ' ' VAL . 15.4 tt -145.93 153.63 13.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.785 0.326 . . . . 0.0 111.134 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.56 ' CE3' ' HB2' ' A' ' 40' ' ' ARG . 2.2 t90 -89.31 135.91 33.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.426 ' HA ' HD11 ' A' ' 57' ' ' LEU . 4.6 t -41.73 -37.85 1.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.857 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.56 ' HB2' ' CE3' ' A' ' 38' ' ' TRP . 7.5 mpt_? -68.43 -60.45 2.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -38.73 -26.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.582 HG22 HD13 ' A' ' 37' ' ' ILE . 46.9 t -76.01 -52.95 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 42' ' ' VAL . 30.1 mtp180 -34.71 -45.02 0.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -70.34 -54.2 13.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.951 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.639 ' CB ' HD13 ' A' ' 28' ' ' ILE . 57.5 mmtt -58.06 -61.87 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.882 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.634 ' CB ' HG22 ' A' ' 25' ' ' VAL . 68.5 p -61.66 -10.5 8.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.833 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 51.4 t30 51.4 33.29 9.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.425 HD21 ' HG3' ' A' ' 21' ' ' GLN . 41.3 mt -119.1 155.48 53.24 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.635 0.731 . . . . 0.0 110.945 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.404 ' O ' HD13 ' A' ' 53' ' ' ILE . 54.2 Cg_endo -69.71 155.23 66.65 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.683 2.256 . . . . 0.0 112.388 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.432 HD13 ' C ' ' A' ' 50' ' ' LEU . 3.1 tm? -46.22 -51.15 14.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.4 t -51.92 -26.27 9.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.17 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.644 ' O ' HD12 ' A' ' 56' ' ' ILE . 33.5 mm-40 -86.91 -41.44 13.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.432 ' N ' HD12 ' A' ' 53' ' ' ILE . 1.7 mp -65.72 -31.88 55.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.174 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -69.39 -52.72 24.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.928 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.481 ' HG3' ' N ' ' A' ' 56' ' ' ILE . 16.0 ptpt -65.73 -39.93 91.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.644 HD12 ' O ' ' A' ' 52' ' ' GLU . 23.0 mt -67.25 -55.63 16.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.161 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.525 HD13 ' CE1' ' A' ' 80' ' ' TYR . 28.5 mt -49.88 -40.07 41.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 59' ' ' ASN . 6.3 tptp -73.02 -59.89 2.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.888 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 58' ' ' LYS . 15.1 m-80 -35.02 -53.78 0.58 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 86.7 mt -53.96 -47.29 71.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.925 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.558 ' OE2' ' HB2' ' A' ' 68' ' ' ALA . 76.7 mt-10 -55.02 -15.79 2.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t -91.34 -27.43 18.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.5 mttm -87.5 14.02 9.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 53.4 mttt 57.41 30.56 18.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.57 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 35.0 mt -95.13 -40.35 9.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.533 HD13 HD13 ' A' ' 29' ' ' ILE . 31.7 pt -138.55 176.24 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.084 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.3 pttt -148.83 164.1 35.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.558 ' HB2' ' OE2' ' A' ' 61' ' ' GLU . . . -96.9 120.89 38.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.093 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 94.9 t -124.94 150.49 29.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.137 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.3 tttm -117.73 129.36 55.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.961 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 10.8 p -66.37 161.27 22.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.865 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.9 p -49.41 -34.65 8.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.104 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.79 136.7 50.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.09 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -89.28 43.78 1.17 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.8 m -105.76 141.25 37.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.1 tppt? -60.58 92.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 40.8 mtmt -143.66 179.97 6.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.906 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -155.87 108.77 2.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 5.9 t -100.16 146.52 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.171 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.525 ' CE1' HD13 ' A' ' 57' ' ' LEU . 90.5 m-85 -124.42 122.83 38.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.983 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.407 ' O ' ' C ' ' A' ' 82' ' ' LEU . 12.6 ptp -135.93 157.17 47.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.42 ' HB2' ' CD1' ' A' ' 85' ' ' LEU . 25.0 mt -37.5 149.86 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -83.47 -25.01 31.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -65.83 -36.72 84.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.937 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.42 ' CD1' ' HB2' ' A' ' 82' ' ' LEU . 14.6 mt -55.81 151.12 11.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 58.4 m -82.74 -33.9 27.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 89.91 -158.18 26.84 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.504 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 148.76 65.9 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.678 2.252 . . . . 0.0 112.402 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.8 m -107.95 174.11 6.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 31.8 m -85.69 172.06 11.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.837 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.475 -179.947 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -52.59 -44.95 66.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.891 0.377 . . . . 0.0 110.844 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.0 p -90.08 -56.7 3.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.56 -173.13 36.69 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.48 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.4 p -152.84 139.98 19.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.859 0.361 . . . . 0.0 110.876 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.6 p -78.43 -16.94 57.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.63 138.74 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.501 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -164.3 120.57 1.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.785 0.326 . . . . 0.0 110.864 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.9 t -92.98 44.28 1.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.85 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 41.2 mm-40 -94.48 120.03 34.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 34.4 t30 -173.04 173.26 3.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.842 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.488 ' HB3' ' HE3' ' A' ' 14' ' ' LYS . . . -55.25 -43.31 74.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.087 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 147.89 41.98 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.459 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.488 ' HE3' ' HB3' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -108.2 146.61 32.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.791 0.329 . . . . 0.0 110.866 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 16.5 mmm -84.11 55.36 3.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.4 mttt 50.52 46.71 25.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 110.93 177.19 20.55 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.469 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.3 t -70.74 100.65 1.92 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.876 0.369 . . . . 0.0 110.862 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -155.09 109.26 2.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.911 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -103.49 -24.49 13.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -57.58 -35.8 70.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -61.17 -17.12 51.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.458 ' HG2' ' N ' ' A' ' 24' ' ' LEU . 6.6 pttp -82.79 -34.45 27.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.458 ' N ' ' HG2' ' A' ' 23' ' ' LYS . 38.5 tp -76.6 -26.66 55.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.958 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.714 HG21 HD13 ' A' ' 56' ' ' ILE . 60.1 t -82.93 -32.41 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.163 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.418 ' CE1' ' HB3' ' A' ' 65' ' ' LEU . 37.6 t80 -70.88 -30.64 67.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.937 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -72.56 -24.43 61.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.972 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.599 HD12 ' HA ' ' A' ' 25' ' ' VAL . 29.9 mt -79.38 -42.56 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.089 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.564 HD13 HD13 ' A' ' 66' ' ' ILE . 42.7 mt -60.24 -42.2 89.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.136 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -68.95 -28.43 66.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -69.69 -33.69 72.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.695 ' HB1' ' O ' ' A' ' 36' ' ' GLY . . . -58.95 -36.83 75.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.096 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.74 -165.45 42.16 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.497 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.561 ' HA ' HD13 ' A' ' 85' ' ' LEU . 8.4 p-10 -47.64 -49.83 26.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.895 0.379 . . . . 0.0 110.942 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.5 mtpp -47.3 -31.4 3.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.695 ' O ' ' HB1' ' A' ' 32' ' ' ALA . . . 80.4 -167.75 50.93 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.472 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.577 HD13 HG22 ' A' ' 42' ' ' VAL . 17.3 tt -146.88 147.96 17.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.826 0.346 . . . . 0.0 111.109 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.451 ' O ' ' C ' ' A' ' 39' ' ' SER . 3.6 t90 -79.76 127.27 32.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.945 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.513 ' HA ' HD11 ' A' ' 57' ' ' LEU . 0.7 OUTLIER -34.5 -38.79 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 -179.785 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.426 ' O ' ' CE1' ' A' ' 44' ' ' TYR . 44.2 mtp180 -73.03 -49.54 28.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.864 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 38' ' ' TRP . 1.9 m-20 -45.14 -22.92 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.625 HG11 HG13 ' A' ' 25' ' ' VAL . 96.2 t -79.51 -47.28 22.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.4 mtm180 -37.67 -39.84 0.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.426 ' CE1' ' O ' ' A' ' 40' ' ' ARG . 1.1 m-85 -74.93 -58.47 3.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.969 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.69 -58.97 5.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.861 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.415 ' CB ' HG22 ' A' ' 25' ' ' VAL . 64.6 p -63.89 -20.17 65.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 61.58 29.48 18.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.409 ' HB2' HD11 ' A' ' 53' ' ' ILE . 74.4 mt -114.63 154.06 46.72 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.66 0.743 . . . . 0.0 110.906 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 156.0 64.6 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.681 2.254 . . . . 0.0 112.405 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.662 ' O ' HD13 ' A' ' 50' ' ' LEU . 1.4 tm? -45.19 -51.87 10.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.933 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.8 t -50.97 -27.95 8.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.132 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.513 ' O ' HD12 ' A' ' 56' ' ' ILE . 48.5 mm-40 -85.57 -41.18 15.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.409 HD11 ' HB2' ' A' ' 48' ' ' LEU . 1.7 mp -67.81 -30.73 49.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.553 ' ND2' HD11 ' A' ' 50' ' ' LEU . 12.3 m-20 -71.66 -49.36 40.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -69.46 -37.37 77.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.714 HD13 HG21 ' A' ' 25' ' ' VAL . 49.1 mt -70.1 -52.98 25.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.145 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.799 HD13 ' CE2' ' A' ' 80' ' ' TYR . 15.4 mt -51.56 -44.82 62.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 61' ' ' GLU . 0.4 OUTLIER -68.52 -60.88 2.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 179.845 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 58' ' ' LYS . 27.7 m-20 -35.1 -47.9 0.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 84.7 mt -59.28 -46.4 88.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.959 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 58' ' ' LYS . 26.6 mt-10 -55.84 -14.67 2.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 t -93.71 -26.2 17.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.6 mttm -90.2 15.9 9.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.878 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 52.8 mttt 54.73 33.22 19.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.418 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 39.4 mt -97.98 -41.28 8.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.564 HD13 HD13 ' A' ' 29' ' ' ILE . 19.1 pt -135.72 178.2 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.162 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 36.2 pttt -155.36 162.93 40.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.553 ' HB1' ' HD2' ' A' ' 78' ' ' LYS . . . -95.55 128.12 42.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.102 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.427 HG12 ' N ' ' A' ' 70' ' ' LYS . 75.8 t -124.75 153.63 31.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.133 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.427 ' N ' HG12 ' A' ' 69' ' ' VAL . 20.3 tptt -109.97 96.47 6.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 49.2 m -68.11 132.44 47.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.466 ' O ' HG13 ' A' ' 72' ' ' VAL . 6.0 p -39.1 116.21 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -171.35 175.52 4.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.145 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -97.43 -50.01 4.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.139 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.5 m -72.18 165.99 23.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.855 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 51.1 mmtt -84.37 131.93 34.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.911 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? -149.64 175.1 11.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.553 ' HD2' ' HB1' ' A' ' 68' ' ' ALA . 6.9 tppt? -144.67 106.83 4.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.907 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 24.1 t -100.09 132.09 46.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.155 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.799 ' CE2' HD13 ' A' ' 57' ' ' LEU . 78.8 m-85 -111.36 127.88 55.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 15.0 ptp -139.0 -178.75 5.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.887 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 16.6 mt -61.48 138.0 58.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.921 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -72.44 -17.92 61.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 -71.19 -39.39 71.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.931 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.561 HD13 ' HA ' ' A' ' 34' ' ' ASN . 43.9 mt -58.1 166.37 1.59 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 82.0 p -99.85 -14.47 18.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 91.16 -156.75 24.48 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.508 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 164.06 35.94 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.672 2.248 . . . . 0.0 112.363 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.2 t -77.88 -55.8 5.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.849 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 36.7 t -72.53 112.35 8.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.827 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.517 -179.991 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.9 p -163.79 122.41 1.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.844 0.354 . . . . 0.0 110.854 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.7 m -152.22 156.69 40.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.87 -170.51 40.19 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.495 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -166.89 137.45 3.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.865 0.364 . . . . 0.0 110.86 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.5 m -52.93 -46.79 68.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.849 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.21 -177.73 47.09 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.515 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -110.48 -54.28 2.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.82 0.343 . . . . 0.0 110.88 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.3 m -131.14 112.75 13.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.842 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -142.79 130.51 21.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 15.7 p-10 -174.83 147.36 0.99 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.71 -43.24 63.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 106.57 44.44 1.33 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.445 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.0 tttm -102.57 155.34 18.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.79 0.329 . . . . 0.0 110.874 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 16.7 ptm -39.71 138.7 0.71 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.0 tptt -162.41 122.98 2.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -151.61 47.47 0.57 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.444 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 m 41.39 46.01 2.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.87 0.367 . . . . 0.0 110.88 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -147.17 135.05 21.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -115.53 -18.88 10.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.664 ' O ' HG23 ' A' ' 25' ' ' VAL . 87.0 mt-30 -61.81 -44.58 96.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.9 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -70.46 -22.11 62.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.854 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.1 mttm -82.02 -40.39 22.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 58.5 tp -66.01 -30.78 71.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 21' ' ' GLN . 38.4 t -80.07 -38.92 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.097 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -65.75 -28.13 68.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -75.5 -28.45 59.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.866 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.56 HD13 ' CB ' ' A' ' 45' ' ' LYS . 43.8 mt -76.24 -42.73 37.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.1 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.748 HG23 ' O ' ' A' ' 80' ' ' TYR . 72.7 mt -61.21 -47.29 94.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.474 ' C ' ' CD ' ' A' ' 30' ' ' GLU . 0.5 OUTLIER -61.56 -29.49 70.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -69.5 -34.65 74.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.841 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.71 ' HB1' ' O ' ' A' ' 36' ' ' GLY . . . -55.88 -32.76 63.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.106 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.73 -174.65 44.74 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.524 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.411 ' O ' ' CE ' ' A' ' 81' ' ' MET . 5.5 p30 -47.71 -36.47 11.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.849 0.357 . . . . 0.0 110.891 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 36.7 mttm -53.48 -41.44 66.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.71 ' O ' ' HB1' ' A' ' 32' ' ' ALA . . . 96.64 -169.83 26.2 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.495 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.485 HD13 HG22 ' A' ' 42' ' ' VAL . 14.8 tt -147.21 151.03 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.855 0.36 . . . . 0.0 111.104 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.583 ' CZ3' ' HD3' ' A' ' 40' ' ' ARG . 3.7 t90 -87.57 130.5 34.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.962 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.544 ' HA ' HD11 ' A' ' 57' ' ' LEU . 1.4 t -34.57 -39.01 0.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.852 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.583 ' HD3' ' CZ3' ' A' ' 38' ' ' TRP . 31.4 mtp180 -64.31 -65.11 0.72 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 40' ' ' ARG . 0.9 OUTLIER -36.75 -29.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.5 ' N ' ' O ' ' A' ' 40' ' ' ARG . 96.3 t -71.54 -54.58 16.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.133 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.441 HH22 ' NE ' ' A' ' 40' ' ' ARG . 41.6 mtm-85 -35.73 -44.75 0.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -70.95 -57.9 4.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.96 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.56 ' CB ' HD13 ' A' ' 28' ' ' ILE . 42.9 mmtt -54.0 -61.28 2.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.91 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.65 ' HB2' HG22 ' A' ' 25' ' ' VAL . 58.5 p -62.41 -15.6 50.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 59.5 t30 56.24 27.69 12.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.429 ' HB3' ' CB ' ' A' ' 52' ' ' GLU . 63.7 mt -111.01 156.13 41.37 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.633 0.73 . . . . 0.0 110.936 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 161.27 46.57 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.682 2.255 . . . . 0.0 112.372 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.628 HD13 ' C ' ' A' ' 50' ' ' LEU . 3.0 tm? -49.17 -51.07 34.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.901 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.5 t -54.45 -24.26 19.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.645 ' O ' HD12 ' A' ' 56' ' ' ILE . 37.0 mm-40 -86.48 -42.38 13.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.405 HD12 ' N ' ' A' ' 53' ' ' ILE . 1.7 mp -68.23 -32.26 55.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.169 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -70.92 -51.43 26.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.0 ptmm? -64.94 -43.26 93.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.645 HD12 ' O ' ' A' ' 52' ' ' GLU . 34.7 mt -65.32 -57.9 9.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.134 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.621 HD13 ' CE1' ' A' ' 80' ' ' TYR . 22.2 mt -46.43 -33.32 3.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 61' ' ' GLU . 29.7 tttt -77.72 -59.23 2.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.832 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 58' ' ' LYS . 1.7 m-80 -36.85 -51.5 0.9 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.909 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.439 ' CB ' HG12 ' A' ' 66' ' ' ILE . 66.2 mt -61.13 -37.64 83.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.966 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 58' ' ' LYS . 34.3 mt-10 -66.01 -20.92 66.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.7 t -96.08 -29.73 13.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.901 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.5 mtpp -83.47 18.59 1.8 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.889 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 26.5 mttp 54.96 31.78 16.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.894 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 47.0 mt -99.44 -31.59 11.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.598 HD11 ' O ' ' A' ' 57' ' ' LEU . 20.7 pt -147.08 -177.47 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.138 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.433 ' HE3' ' CG2' ' A' ' 69' ' ' VAL . 34.2 pttt -159.17 164.59 35.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.493 ' HB2' ' OE2' ' A' ' 61' ' ' GLU . . . -95.95 124.81 40.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.098 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.433 ' CG2' ' HE3' ' A' ' 67' ' ' LYS . 40.7 t -126.92 151.25 33.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.5 tttt -128.93 97.3 4.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.1 t -60.74 163.63 5.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.824 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.2 p -57.11 -30.74 35.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.078 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -90.69 37.16 0.91 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.076 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -134.03 124.01 25.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.2 t -106.27 -60.03 1.71 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 15.0 tptp -128.28 66.13 1.38 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.958 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.1 mtmm -140.05 -175.7 4.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.4 tptt -151.02 104.98 3.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.94 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.408 ' CG1' ' HA3' ' A' ' 36' ' ' GLY . 19.6 t -95.5 136.75 25.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.112 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.748 ' O ' HG23 ' A' ' 29' ' ' ILE . 97.0 m-85 -117.62 116.24 26.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.926 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.411 ' CE ' ' O ' ' A' ' 34' ' ' ASN . 14.9 ptp -127.13 176.24 7.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.839 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 12.4 mt -56.6 142.53 39.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -77.59 -32.58 53.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -67.15 -27.29 67.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.858 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.1 mp -76.43 148.43 37.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.4 p -100.71 156.27 17.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -149.43 -158.38 8.09 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.484 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 146.63 61.24 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.684 2.256 . . . . 0.0 112.392 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 60.1 p -90.38 132.97 35.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.846 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.6 t -132.59 105.85 7.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.498 -179.98 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -164.76 177.44 7.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.859 0.361 . . . . 0.0 110.856 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.2 t -162.31 168.6 21.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.842 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.85 93.68 1.86 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.508 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.2 p -130.08 85.13 2.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.855 0.359 . . . . 0.0 110.828 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.3 p 43.66 41.55 3.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.85 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.93 96.25 0.17 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.517 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -147.76 129.48 15.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.838 0.351 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 t -119.93 121.58 39.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.41 ' O ' ' CG ' ' A' ' 11' ' ' ASN . 7.3 pt20 -83.49 120.94 26.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.929 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.41 ' CG ' ' O ' ' A' ' 10' ' ' GLN . 50.2 m-80 -167.58 125.25 1.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -93.08 -40.15 10.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.082 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 98.89 -61.34 0.82 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.549 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 15' ' ' MET . 33.7 mttp -116.55 162.38 17.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.729 0.3 . . . . 0.0 110.931 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.442 ' C ' ' O ' ' A' ' 14' ' ' LYS . 23.8 ttm -34.53 -58.03 0.5 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.853 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -174.11 138.74 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 63.98 -154.5 46.67 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.52 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 63.5 p -111.29 -55.33 2.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.889 0.376 . . . . 0.0 110.893 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -52.04 173.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.832 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -120.58 83.09 2.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -100.71 -61.07 1.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -56.77 -24.59 51.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 50.8 mttt -82.14 -52.22 7.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.432 HD21 ' O ' ' A' ' 46' ' ' SER . 39.3 tp -52.94 -36.42 59.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.54 HG13 HG11 ' A' ' 42' ' ' VAL . 91.4 t -74.42 -53.34 17.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.115 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.411 ' HA ' HD12 ' A' ' 29' ' ' ILE . 62.5 t80 -53.38 -35.5 60.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -68.75 -22.52 64.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.47 HD12 ' HA ' ' A' ' 25' ' ' VAL . 44.8 mt -86.3 -35.46 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.417 HD13 HD13 ' A' ' 66' ' ' ILE . 55.2 mt -64.2 -48.35 86.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.134 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.69 -26.73 68.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.902 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -67.61 -36.93 81.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.596 ' HB1' ' O ' ' A' ' 36' ' ' GLY . . . -53.86 -37.56 63.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.51 -159.56 23.25 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.482 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.03 -41.03 97.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.836 0.351 . . . . 0.0 110.837 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp -47.23 -49.65 22.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.596 ' O ' ' HB1' ' A' ' 32' ' ' ALA . . . 110.12 -171.52 14.93 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.438 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.0 tt -150.08 147.24 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.808 0.337 . . . . 0.0 111.111 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.513 ' CE3' ' HD2' ' A' ' 40' ' ' ARG . 4.9 t90 -87.09 134.29 33.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.573 ' HA ' HD11 ' A' ' 57' ' ' LEU . 57.6 p -38.69 -38.43 0.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.86 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.513 ' HD2' ' CE3' ' A' ' 38' ' ' TRP . 47.0 mtt-85 -65.44 -55.47 17.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -38.77 -33.76 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.54 HG11 HG13 ' A' ' 25' ' ' VAL . 43.4 t -67.94 -55.63 15.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 42' ' ' VAL . 18.5 mtp180 -34.11 -47.61 0.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -69.99 -60.97 1.97 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -54.07 -63.17 1.24 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.893 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.432 ' O ' HD21 ' A' ' 24' ' ' LEU . 77.7 p -57.58 -27.75 62.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 31.8 t-20 68.25 29.0 6.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.41 ' HB2' HD11 ' A' ' 53' ' ' ILE . 33.6 mt -115.21 157.43 43.73 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.627 0.727 . . . . 0.0 110.917 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 155.6 65.55 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.7 2.267 . . . . 0.0 112.338 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.671 ' O ' HD13 ' A' ' 50' ' ' LEU . 1.7 tm? -48.43 -45.85 36.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.945 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.4 t -56.55 -24.4 46.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.133 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.426 ' O ' HD12 ' A' ' 56' ' ' ILE . 40.1 mm-40 -87.98 -45.54 10.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.422 ' N ' HD12 ' A' ' 53' ' ' ILE . 1.8 mp -63.78 -35.03 71.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.126 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.572 ' ND2' HD11 ' A' ' 50' ' ' LEU . 15.0 m-20 -67.21 -52.67 38.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.449 ' HG3' ' N ' ' A' ' 56' ' ' ILE . 7.2 pttp -66.7 -34.75 78.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.449 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 48.5 mt -71.99 -54.23 17.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.092 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 1.098 HD13 ' CE2' ' A' ' 80' ' ' TYR . 17.8 mt -49.61 -45.05 47.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 59' ' ' ASN . 4.3 tptm -67.96 -59.12 3.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.966 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 58' ' ' LYS . 26.5 m-20 -35.25 -54.88 0.63 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.529 HD23 HD12 ' A' ' 65' ' ' LEU . 33.5 mt -54.35 -49.04 70.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.486 ' OE2' ' N ' ' A' ' 68' ' ' ALA . 36.3 mt-10 -52.38 -21.51 3.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.5 t -92.39 -26.71 17.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -85.79 14.18 6.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp 57.22 38.73 28.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.951 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.529 HD12 HD23 ' A' ' 60' ' ' LEU . 36.1 mt -108.41 -35.29 6.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.675 HD11 ' O ' ' A' ' 57' ' ' LEU . 19.1 pt -140.91 176.2 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.136 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 46.7 pttt -155.71 155.37 33.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.486 ' N ' ' OE2' ' A' ' 61' ' ' GLU . . . -85.59 132.68 34.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.051 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 53.9 t -126.39 147.19 31.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.088 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.6 tptt -112.31 95.26 5.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 91.5 p -74.3 145.86 43.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.5 ' O ' HG13 ' A' ' 72' ' ' VAL . 7.4 p -52.76 115.42 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.145 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -167.61 163.54 14.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.11 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -104.83 40.06 1.57 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.112 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.7 m -149.35 163.89 36.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp -93.89 130.0 40.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.939 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -169.08 163.74 11.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -122.18 100.18 6.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.921 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 25.3 t -87.59 138.62 18.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.171 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 1.098 ' CE2' HD13 ' A' ' 57' ' ' LEU . 94.5 m-85 -118.43 150.95 38.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.963 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 8.3 ptp -161.18 175.77 11.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.475 ' HB2' ' CD1' ' A' ' 85' ' ' LEU . 14.3 mt -59.52 139.15 57.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -73.75 -33.18 64.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -66.02 -40.17 90.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.856 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.475 ' CD1' ' HB2' ' A' ' 82' ' ' LEU . 94.7 mt -54.09 140.33 32.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.935 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.4 m -81.31 113.84 19.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.823 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -117.34 -158.76 11.19 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.491 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 110.82 2.65 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.697 2.264 . . . . 0.0 112.313 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 49.0 m -75.52 92.72 2.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.9 t -130.08 78.95 1.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.525 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.5 t -173.24 147.98 1.61 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.844 0.354 . . . . 0.0 110.877 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 t -165.41 175.97 8.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.27 152.9 6.24 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.518 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -165.49 175.06 9.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.87 0.367 . . . . 0.0 110.846 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.7 p -163.04 170.04 18.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.841 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.09 152.48 24.63 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -150.42 135.29 17.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.846 0.355 . . . . 0.0 110.851 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.4 p -153.07 111.62 3.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -155.31 159.93 40.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.924 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 -83.62 142.96 30.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -97.83 4.95 49.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.97 68.59 2.99 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.499 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.0 mmtt -107.81 149.41 28.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.79 0.328 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.446 ' O ' ' C ' ' A' ' 16' ' ' LYS . 5.6 tmm? -66.42 92.18 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.894 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.488 ' HE2' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -34.79 151.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 121.71 113.4 2.24 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.491 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 86.4 p -98.98 42.52 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.851 0.358 . . . . 0.0 110.826 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -123.78 149.94 45.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -102.58 -26.87 13.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.938 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.521 ' O ' HG23 ' A' ' 25' ' ' VAL . 27.0 mt-30 -63.47 -46.84 84.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -66.72 -19.83 65.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.9 mtpp -82.5 -57.97 3.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 38.7 tp -47.6 -34.22 7.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.755 HG13 HG11 ' A' ' 42' ' ' VAL . 59.2 t -75.13 -42.51 44.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.146 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.453 ' CE1' ' HB3' ' A' ' 65' ' ' LEU . 60.8 t80 -62.68 -34.03 76.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -70.89 -25.17 62.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 22.8 mt -82.58 -28.78 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.133 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.491 HD11 HD23 ' A' ' 57' ' ' LEU . 91.6 mt -72.57 -47.41 51.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.115 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -65.34 -23.83 67.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -69.2 -37.41 78.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.841 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.446 ' HB1' ' O ' ' A' ' 36' ' ' GLY . . . -57.75 -36.82 72.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.083 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.36 -165.53 37.42 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.478 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -51.19 -42.27 60.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.916 0.389 . . . . 0.0 110.883 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.3 ptpt -51.24 -19.95 1.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.882 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.446 ' O ' ' HB1' ' A' ' 32' ' ' ALA . . . 71.47 -177.12 37.37 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.51 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.475 ' O ' HG13 ' A' ' 79' ' ' VAL . 13.5 tt -141.05 154.77 21.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.779 0.323 . . . . 0.0 111.154 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.444 ' O ' ' N ' ' A' ' 40' ' ' ARG . 6.2 t90 -89.06 125.78 35.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 38' ' ' TRP . 1.5 t -35.38 -34.56 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 38' ' ' TRP . 15.4 mtp85 -67.53 -58.61 4.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -38.35 -31.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.755 HG11 HG13 ' A' ' 25' ' ' VAL . 21.6 t -69.55 -53.9 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.477 ' CZ ' ' HB3' ' A' ' 43' ' ' ARG . 7.1 mtp-105 -34.7 -45.45 0.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -72.58 -55.18 7.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 57.3 mmtt -57.11 -62.9 1.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.875 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.605 ' CB ' HG22 ' A' ' 25' ' ' VAL . 78.8 p -62.38 -9.52 8.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.843 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 27.4 m-20 50.06 34.97 9.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.8 mt -118.3 156.53 50.71 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.655 0.74 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 156.73 62.47 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.687 2.258 . . . . 0.0 112.324 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.539 HD13 ' C ' ' A' ' 50' ' ' LEU . 3.5 tm? -48.16 -47.35 35.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.859 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.1 t -56.33 -23.86 39.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.177 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.641 ' O ' HD12 ' A' ' 56' ' ' ILE . 36.8 mm-40 -87.42 -39.63 15.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.435 ' N ' HD12 ' A' ' 53' ' ' ILE . 1.7 mp -70.55 -31.23 45.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.187 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -72.88 -47.86 42.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.881 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.89 -35.97 72.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.641 HD12 ' O ' ' A' ' 52' ' ' GLU . 44.3 mt -72.01 -54.07 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.128 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.75 HD13 ' CE1' ' A' ' 80' ' ' TYR . 21.3 mt -50.22 -41.99 50.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.479 ' O ' ' N ' ' A' ' 61' ' ' GLU . 30.9 tttp -66.78 -62.78 1.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 58' ' ' LYS . 2.3 m-80 -35.05 -49.61 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.898 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.565 HD23 HD12 ' A' ' 65' ' ' LEU . 48.4 mt -59.15 -43.97 92.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.652 ' OE2' ' HB2' ' A' ' 68' ' ' ALA . 17.3 mt-10 -61.86 -15.37 41.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.8 t -96.41 -26.64 15.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.1 mttm -85.92 5.17 34.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm 69.19 25.55 5.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.565 HD12 HD23 ' A' ' 60' ' ' LEU . 18.9 mt -92.27 -31.69 15.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.93 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.405 HD13 HD13 ' A' ' 29' ' ' ILE . 35.0 pt -148.2 -177.87 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.7 pttp -153.43 165.36 36.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.652 ' HB2' ' OE2' ' A' ' 61' ' ' GLU . . . -98.8 124.77 43.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.451 ' CG1' ' N ' ' A' ' 70' ' ' LYS . 30.9 t -124.92 154.85 33.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.172 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.47 ' CE ' ' O ' ' A' ' 77' ' ' LYS . 3.5 tppp? -127.26 132.15 50.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.3 t -109.67 159.97 16.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.861 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.2 p -47.14 122.76 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.455 ' CB ' ' HE2' ' A' ' 77' ' ' LYS . . . -174.67 170.92 3.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.099 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.6 -73.22 0.42 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.115 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 41.4 p -57.73 -178.3 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -112.02 106.09 14.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.958 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.47 ' O ' ' CE ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -109.42 -175.88 2.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.882 179.897 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.56 105.44 4.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.906 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.475 HG13 ' O ' ' A' ' 37' ' ' ILE . 5.7 t -97.0 149.5 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.158 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.75 ' CE1' HD13 ' A' ' 57' ' ' LEU . 81.8 m-85 -124.34 146.47 48.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 10.9 ptp -158.61 172.65 17.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.833 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.478 ' HB2' HD13 ' A' ' 85' ' ' LEU . 29.9 mt -54.9 135.16 48.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -62.28 -40.55 96.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 66.3 m-20 -61.86 -36.18 80.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.478 HD13 ' HB2' ' A' ' 82' ' ' LEU . 10.0 mp -67.7 -175.46 0.53 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 51.8 m -154.37 164.18 39.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.817 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -159.31 -158.49 9.14 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.475 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 109.11 2.24 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.644 2.23 . . . . 0.0 112.327 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 90' ' ' SER . 9.8 m -71.19 -21.68 62.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 89' ' ' SER . 44.1 m 37.15 48.5 0.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.838 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.478 179.983 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.3 p -118.4 44.29 2.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.891 0.377 . . . . 0.0 110.843 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.2 p 39.03 43.55 0.8 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.82 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.64 79.07 0.72 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.457 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.1 t -108.09 125.04 51.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.848 0.356 . . . . 0.0 110.868 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.9 p -140.63 172.64 12.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.07 80.22 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.505 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.6 p-10 -131.77 167.58 19.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.797 0.332 . . . . 0.0 110.848 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.0 m -159.14 151.58 21.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 24.3 mp0 -71.09 127.15 31.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -133.27 82.79 2.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.7 -43.19 13.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.089 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 132.91 80.12 0.17 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.508 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.1 mmmt -75.74 125.29 28.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.759 0.314 . . . . 0.0 110.958 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 9.0 mmt -74.92 84.52 2.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.866 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -75.37 173.51 10.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 138.33 168.77 11.4 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.485 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.8 p -90.85 -17.34 26.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.857 0.36 . . . . 0.0 110.8 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -120.94 160.71 22.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 29.8 p30 -111.82 40.18 2.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.874 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.471 ' O ' HG23 ' A' ' 25' ' ' VAL . 85.0 mt-30 -97.45 -60.11 1.64 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -54.38 -15.73 1.82 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.7 pttp -91.78 -38.43 12.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 66.5 tp -66.31 -34.82 78.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.964 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.644 HG21 HG21 ' A' ' 56' ' ' ILE . 12.9 t -71.5 -51.34 33.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.113 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.475 ' CE1' ' HB3' ' A' ' 65' ' ' LEU . 71.2 t80 -57.27 -40.1 77.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.962 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.481 ' NE2' ' O ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -59.65 -28.47 67.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.895 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.551 HD13 ' CB ' ' A' ' 45' ' ' LYS . 25.2 mt -82.49 -42.7 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.547 HD13 HD13 ' A' ' 66' ' ' ILE . 57.7 mt -58.44 -43.4 86.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.148 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.57 -28.27 67.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -67.99 -37.7 81.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.651 ' HB1' ' O ' ' A' ' 36' ' ' GLY . . . -55.32 -38.4 68.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.63 -172.57 41.0 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -46.39 -41.55 13.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.955 0.407 . . . . 0.0 110.905 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.9 mtmp? -50.18 -35.62 27.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.651 ' O ' ' HB1' ' A' ' 32' ' ' ALA . . . 89.08 -170.67 37.94 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.475 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.65 HD13 HG22 ' A' ' 42' ' ' VAL . 15.4 tt -149.85 150.1 14.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.82 0.343 . . . . 0.0 111.161 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.515 ' CZ3' ' HD3' ' A' ' 40' ' ' ARG . 11.6 t90 -80.99 128.66 33.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.8 t -38.35 -40.61 0.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.515 ' HD3' ' CZ3' ' A' ' 38' ' ' TRP . 21.9 ttt180 -67.87 -53.41 26.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.861 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -45.04 -28.97 0.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.65 HG22 HD13 ' A' ' 37' ' ' ILE . 48.4 t -72.1 -51.31 31.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 42' ' ' VAL . 22.2 mtm180 -35.82 -47.69 0.52 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.87 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -68.83 -44.66 72.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.551 ' CB ' HD13 ' A' ' 28' ' ' ILE . 32.7 mmtm -59.33 -59.06 6.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.923 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.9 m -73.07 -19.17 61.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 65.3 t30 64.97 32.03 10.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.533 ' HB2' HD11 ' A' ' 53' ' ' ILE . 38.1 mt -111.4 157.19 39.79 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.647 0.737 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 155.21 66.51 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.674 2.249 . . . . 0.0 112.331 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.685 ' O ' HD13 ' A' ' 50' ' ' LEU . 1.2 tm? -47.69 -47.31 29.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.3 t -54.02 -25.55 21.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.446 ' O ' HD12 ' A' ' 56' ' ' ILE . 43.9 mm-40 -86.79 -46.99 9.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.533 HD11 ' HB2' ' A' ' 48' ' ' LEU . 1.6 mp -63.78 -29.73 48.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.073 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.519 ' ND2' HD11 ' A' ' 50' ' ' LEU . 9.1 m-20 -73.94 -50.18 21.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -68.49 -37.21 79.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.644 HG21 HG21 ' A' ' 25' ' ' VAL . 43.6 mt -70.92 -55.46 14.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.133 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.677 ' O ' HD11 ' A' ' 66' ' ' ILE . 23.5 mt -46.06 -36.89 6.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 61' ' ' GLU . 7.5 tmtm? -78.56 -59.62 2.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 58' ' ' LYS . 28.0 m-20 -35.17 -47.84 0.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 50.3 mt -60.8 -47.64 85.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 58' ' ' LYS . 26.5 mt-10 -49.56 -20.11 0.7 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t -89.22 -27.86 20.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.839 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 28.1 mttt -86.45 15.56 5.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.835 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.0 mttm 54.46 30.11 12.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.876 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.475 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 39.3 mt -96.36 -34.94 11.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.677 HD11 ' O ' ' A' ' 57' ' ' LEU . 16.6 pt -142.99 173.28 6.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.148 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 43.9 pttt -151.22 164.32 36.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.687 ' HB1' ' HD2' ' A' ' 78' ' ' LYS . . . -97.01 125.28 41.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.059 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 69.9 t -126.91 150.86 33.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.0 tmtt? -111.54 132.71 54.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 77.3 p -115.91 134.75 54.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.838 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.415 ' O ' HG13 ' A' ' 72' ' ' VAL . 4.8 p -41.89 118.69 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.115 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -168.15 138.6 2.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.098 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.45 -45.19 62.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.2 t -95.55 128.05 42.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.822 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.5 mmtp -59.59 134.69 57.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 19.8 mtmt -144.7 158.56 43.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.893 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.687 ' HD2' ' HB1' ' A' ' 68' ' ' ALA . 0.0 OUTLIER -117.81 101.41 8.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.965 179.818 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 7.4 t -92.51 144.04 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.168 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.488 ' CE2' HD13 ' A' ' 57' ' ' LEU . 79.0 m-85 -122.19 125.47 46.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.971 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.437 ' O ' ' C ' ' A' ' 82' ' ' LEU . 13.3 ptp -139.63 153.01 47.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.525 HD13 HD13 ' A' ' 85' ' ' LEU . 10.6 mt -34.6 151.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -78.79 -42.88 26.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 56.6 m-20 -63.12 -36.12 82.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.525 HD13 HD13 ' A' ' 82' ' ' LEU . 11.0 mp -70.38 119.22 14.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 32.9 t -66.76 166.05 13.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -157.84 -176.43 29.88 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.482 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 1.93 3.99 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.683 2.255 . . . . 0.0 112.329 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.0 t -54.02 116.19 2.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.811 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.6 m -76.05 120.66 21.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.823 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.458 -179.965 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.8 p -160.42 135.93 8.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.863 0.363 . . . . 0.0 110.83 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -135.22 177.73 7.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.14 157.34 27.17 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.501 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -158.07 175.75 13.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.909 0.385 . . . . 0.0 110.835 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.8 p -134.68 155.06 51.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.881 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.19 171.44 38.52 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.469 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -160.56 153.76 21.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.827 0.346 . . . . 0.0 110.895 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.1 m -154.96 150.28 27.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -150.64 124.95 9.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -130.96 97.86 4.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -99.46 -44.14 6.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.112 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 91.63 98.44 1.29 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.48 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.7 ttpt -97.93 155.74 16.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.786 0.327 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.7 tmm? -87.84 98.16 11.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.8 mtpp -143.34 156.85 44.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -155.77 -170.2 20.9 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.512 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.5 m -71.29 -62.61 1.34 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.893 0.378 . . . . 0.0 110.843 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -86.97 148.48 25.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.401 ' O ' ' CB ' ' A' ' 24' ' ' LEU . 2.6 m-80 -109.42 44.54 1.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.568 ' O ' HG23 ' A' ' 25' ' ' VAL . 44.4 mt-30 -93.64 -44.36 8.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -73.37 -26.25 60.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 24' ' ' LEU . 14.1 ptmt -88.83 -41.67 12.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.56 HD21 ' O ' ' A' ' 46' ' ' SER . 54.8 tp -59.16 -24.3 62.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.93 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 21' ' ' GLN . 95.4 t -87.06 -50.12 14.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.15 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.466 ' CE1' ' HB3' ' A' ' 65' ' ' LEU . 89.4 t80 -56.56 -35.03 67.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -65.1 -34.93 79.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.467 HD12 ' O ' ' A' ' 24' ' ' LEU . 22.7 mt -77.33 -35.45 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.11 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.501 HD13 HD13 ' A' ' 66' ' ' ILE . 94.8 mt -63.77 -48.68 85.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.185 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -63.04 -31.9 73.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -62.82 -39.56 94.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.631 ' HB1' ' O ' ' A' ' 36' ' ' GLY . . . -53.5 -35.09 60.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.064 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.49 -178.54 47.51 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.528 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.437 ' HA ' HD23 ' A' ' 85' ' ' LEU . 1.2 p-10 -42.75 -37.27 1.7 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.922 0.391 . . . . 0.0 110.9 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 45.5 mtmt -53.24 -41.17 65.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.631 ' O ' ' HB1' ' A' ' 32' ' ' ALA . . . 94.19 -173.01 32.56 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.519 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.422 ' HB ' ' HB2' ' A' ' 32' ' ' ALA . 14.0 tt -147.84 151.97 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.836 0.351 . . . . 0.0 111.072 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.576 ' CZ2' ' HG2' ' A' ' 77' ' ' LYS . 2.8 t90 -81.34 133.13 35.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.536 ' HA ' HD11 ' A' ' 57' ' ' LEU . 3.4 t -39.06 -45.08 1.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.556 ' HD3' ' CZ3' ' A' ' 38' ' ' TRP . 39.2 mtp180 -63.42 -59.84 4.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.873 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 40' ' ' ARG . 1.9 m-20 -34.81 -34.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.859 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.523 HG11 HG13 ' A' ' 25' ' ' VAL . 90.1 t -69.96 -52.82 27.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.139 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 42' ' ' VAL . 30.7 mtm180 -34.15 -46.76 0.26 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -70.45 -57.3 4.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.963 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.3 mmtm -51.51 -60.33 3.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.875 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.56 ' O ' HD21 ' A' ' 24' ' ' LEU . 1.8 m -63.58 -31.04 72.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.832 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 74.41 27.53 1.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.913 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 33.4 mt -111.38 157.73 38.23 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.568 0.699 . . . . 0.0 110.931 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 155.34 66.18 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.661 2.24 . . . . 0.0 112.366 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.728 ' O ' HD13 ' A' ' 50' ' ' LEU . 0.5 OUTLIER -48.93 -44.28 40.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.6 t -56.79 -24.55 51.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.176 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.657 ' O ' HD12 ' A' ' 56' ' ' ILE . 37.4 mm-40 -88.05 -42.8 12.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.402 HD12 ' N ' ' A' ' 53' ' ' ILE . 1.8 mp -67.04 -36.68 77.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.126 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.467 ' CG ' ' CD1' ' A' ' 50' ' ' LEU . 8.8 m-20 -65.56 -54.4 28.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.99 -43.54 98.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.657 HD12 ' O ' ' A' ' 52' ' ' GLU . 35.7 mt -64.45 -58.78 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.657 HD13 ' CE2' ' A' ' 80' ' ' TYR . 23.6 mt -43.5 -41.63 4.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 59' ' ' ASN . 0.8 OUTLIER -74.2 -61.81 1.73 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.847 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 58' ' ' LYS . 15.5 m-80 -35.11 -54.66 0.61 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 70.2 mt -51.55 -47.64 63.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.937 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.527 ' OE2' ' HB2' ' A' ' 68' ' ' ALA . 66.1 mt-10 -56.64 -18.33 11.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.81 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 t -89.22 -25.09 21.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.7 mttm -90.5 13.61 15.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 36.2 mmtp 59.75 30.26 19.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.466 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 36.1 mt -95.49 -37.02 11.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.501 HD13 HD13 ' A' ' 29' ' ' ILE . 36.8 pt -142.05 177.94 2.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.166 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 30.9 pttt -148.14 163.15 37.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.527 ' HB2' ' OE2' ' A' ' 61' ' ' GLU . . . -95.78 118.58 32.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.465 HG12 ' N ' ' A' ' 70' ' ' LYS . 57.2 t -126.97 155.59 37.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.465 ' N ' HG12 ' A' ' 69' ' ' VAL . 10.2 ttmt -128.11 109.33 11.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.8 m -60.61 150.86 30.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.1 p -45.26 -36.28 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.151 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -104.88 84.01 2.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.106 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -162.87 136.26 5.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 76' ' ' LYS . 3.3 m -127.15 137.02 52.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 75' ' ' SER . 4.5 mmmm 38.25 38.38 0.21 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.923 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.576 ' HG2' ' CZ2' ' A' ' 38' ' ' TRP . 37.1 mtpt -122.44 -175.24 3.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.71 113.38 2.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.89 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 17.3 t -94.75 144.51 9.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.159 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.657 ' CE2' HD13 ' A' ' 57' ' ' LEU . 88.5 m-85 -122.63 125.1 44.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 12.3 ptp -136.06 -179.96 5.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.875 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.659 HD13 HD13 ' A' ' 85' ' ' LEU . 9.7 mt -61.81 146.64 48.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -77.31 -54.77 6.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 43.8 t-20 -67.24 -40.29 86.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.851 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.659 HD13 HD13 ' A' ' 82' ' ' LEU . 1.6 tp -53.43 151.66 5.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.3 t -92.71 125.1 37.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.833 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -117.46 -157.91 10.88 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.53 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 113.78 3.5 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.679 2.253 . . . . 0.0 112.342 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 39.8 t -151.26 150.17 30.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 29.2 t -61.72 -55.45 30.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.849 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.511 -179.972 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.393 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.5 t -85.75 -53.15 5.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.827 0.346 . . . . 0.0 110.896 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.6 m -78.48 167.92 20.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.902 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.28 56.4 0.52 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -57.13 169.15 0.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.869 0.366 . . . . 0.0 110.896 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.3 p -42.2 129.46 3.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.867 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.71 -85.94 0.15 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.47 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -134.12 157.28 46.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.794 0.33 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.2 m -76.97 -178.38 4.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -101.89 -27.97 12.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -172.24 118.85 0.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.24 -43.11 16.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 124.57 92.66 0.97 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.469 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.4 ttmt -110.35 142.66 41.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.72 0.295 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 6.2 ptm -57.14 132.27 52.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -128.26 102.46 6.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -97.12 110.18 3.99 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.502 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.3 p -44.47 -29.57 0.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.906 0.384 . . . . 0.0 110.866 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -101.05 152.74 20.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -95.83 -33.16 12.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.661 ' O ' HG23 ' A' ' 25' ' ' VAL . 18.0 mp0 -48.6 -51.48 27.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -60.25 -27.23 67.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.5 mtpt -78.11 -57.63 3.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 41.2 tp -51.64 -28.58 14.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 21' ' ' GLN . 84.7 t -80.8 -43.69 21.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.155 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.442 ' CE1' ' HB3' ' A' ' 65' ' ' LEU . 45.2 t80 -62.88 -26.02 68.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -81.3 -27.11 35.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 37.0 mt -76.18 -30.34 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.592 HD11 ' CD2' ' A' ' 57' ' ' LEU . 70.1 mt -73.45 -42.73 56.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.165 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -68.04 -22.8 64.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -73.36 -40.26 64.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.934 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.439 ' HB1' ' O ' ' A' ' 36' ' ' GLY . . . -53.44 -29.45 35.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.104 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 85.48 -173.39 47.78 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.529 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.651 ' ND2' HD23 ' A' ' 85' ' ' LEU . 3.6 m120 -51.5 -35.64 41.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.861 0.362 . . . . 0.0 110.839 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.6 mtmm -52.21 -28.66 19.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.439 ' O ' ' HB1' ' A' ' 32' ' ' ALA . . . 84.21 -176.67 51.71 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.456 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.537 HD13 HG22 ' A' ' 42' ' ' VAL . 9.7 tt -145.42 149.33 16.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 0.0 111.143 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.545 ' CE3' ' HB2' ' A' ' 40' ' ' ARG . 5.6 t90 -81.71 131.71 35.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 38' ' ' TRP . 83.5 p -37.13 -46.58 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.862 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.545 ' HB2' ' CE3' ' A' ' 38' ' ' TRP . 28.9 mtp180 -61.37 -56.11 23.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.449 ' HB3' ' CG1' ' A' ' 37' ' ' ILE . 2.6 t70 -39.11 -29.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.541 HG11 HG13 ' A' ' 25' ' ' VAL . 23.8 t -72.43 -50.34 35.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.488 ' HD2' ' CD2' ' A' ' 50' ' ' LEU . 8.0 mtp-105 -37.91 -47.04 1.02 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -67.92 -54.84 15.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.948 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.9 mmtt -55.42 -62.97 1.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.929 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.484 ' CB ' HG22 ' A' ' 25' ' ' VAL . 92.1 p -63.49 -19.62 64.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.818 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 51.4 t30 62.79 27.49 16.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.471 HD11 ' CG ' ' A' ' 21' ' ' GLN . 49.5 mt -112.13 156.51 41.82 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.62 0.724 . . . . 0.0 110.901 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 157.45 60.35 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.703 2.269 . . . . 0.0 112.39 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.59 ' O ' HD13 ' A' ' 50' ' ' LEU . 0.4 OUTLIER -48.13 -48.34 34.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.875 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.4 t -53.5 -25.17 15.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.215 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.427 ' O ' HD12 ' A' ' 56' ' ' ILE . 13.9 mm-40 -87.43 -48.94 7.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.415 ' N ' HD12 ' A' ' 53' ' ' ILE . 1.7 mp -61.15 -33.71 57.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.446 ' CG ' ' CD1' ' A' ' 50' ' ' LEU . 11.3 m-20 -68.6 -53.47 22.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.442 ' HG3' ' N ' ' A' ' 56' ' ' ILE . 17.5 ptpt -65.78 -38.23 88.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.442 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 33.8 mt -68.64 -54.13 22.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.112 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.623 HD13 ' CE1' ' A' ' 80' ' ' TYR . 15.7 mt -51.93 -32.45 33.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.489 ' CE ' ' OE1' ' A' ' 61' ' ' GLU . 1.0 OUTLIER -78.46 -58.95 2.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.839 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -37.81 -41.48 0.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.7 mt -66.99 -46.9 73.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.931 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.499 ' OE2' ' N ' ' A' ' 68' ' ' ALA . 36.0 mt-10 -55.84 -17.69 6.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t -92.48 -29.49 16.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.9 mttm -86.64 14.97 6.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.7 mmtp 56.76 26.56 11.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.894 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.442 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 42.3 mt -90.81 -32.63 16.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.881 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.451 HD11 ' O ' ' A' ' 57' ' ' LEU . 21.2 pt -145.99 -175.71 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.163 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.4 pttt -158.33 162.33 37.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.499 ' N ' ' OE2' ' A' ' 61' ' ' GLU . . . -100.19 125.94 46.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.079 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 77.4 t -123.49 98.0 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.083 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.46 ' HZ1' ' HB3' ' A' ' 73' ' ' ALA . 2.4 tmtm? -84.41 94.06 8.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 73' ' ' ALA . 1.3 t -85.97 167.03 15.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.601 ' O ' HG13 ' A' ' 72' ' ' VAL . 6.8 p -40.45 95.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.108 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.46 ' HB3' ' HZ1' ' A' ' 70' ' ' LYS . . . -166.89 -176.74 3.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.088 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.86 133.31 51.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.086 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.0 m -59.74 -20.19 54.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.837 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -92.84 55.24 2.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.434 ' CE ' ' HB1' ' A' ' 73' ' ' ALA . 43.2 mtmt -156.03 171.62 19.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.968 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -161.1 121.18 2.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.857 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 10.2 t -100.75 143.38 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.086 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.623 ' CE1' HD13 ' A' ' 57' ' ' LEU . 76.4 m-85 -124.91 141.16 52.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.941 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 19.2 ptp -152.11 174.92 13.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.478 ' CB ' HD13 ' A' ' 85' ' ' LEU . 17.9 mt -56.84 137.84 54.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -66.19 -39.3 89.6 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 21.3 t30 -64.73 -30.76 71.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.651 HD23 ' ND2' ' A' ' 34' ' ' ASN . 10.7 mp -79.86 138.96 37.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 51.0 m -103.1 146.95 27.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -119.19 -164.24 12.67 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.465 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 172.51 12.49 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.706 2.271 . . . . 0.0 112.339 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 51.8 p -73.72 98.99 3.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 80.2 p -110.21 112.12 23.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.881 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.465 -179.965 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.5 m -92.37 -60.2 1.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.868 0.366 . . . . 0.0 110.842 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.4 p -81.08 122.89 27.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.847 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.22 -174.76 15.02 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.482 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.6 p -166.52 172.93 10.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.88 0.371 . . . . 0.0 110.825 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.4 p -170.52 171.39 6.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.822 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.66 -179.01 52.79 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.515 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 63.62 46.52 4.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.794 0.33 . . . . 0.0 110.85 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.2 m -109.7 -49.97 3.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.838 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -133.68 137.07 45.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -116.64 82.67 1.83 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.78 -38.84 16.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.084 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 128.09 -113.39 1.63 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.437 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -120.61 107.82 13.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.806 0.336 . . . . 0.0 110.889 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.9 mmt -148.74 146.1 27.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.882 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.7 mmmm -55.63 109.31 0.54 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 60.68 -175.69 4.64 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 68.2 m -93.12 77.44 4.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.874 0.368 . . . . 0.0 110.83 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -153.65 144.26 22.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.873 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.455 ' CB ' ' HD3' ' A' ' 23' ' ' LYS . 3.4 p-10 -110.02 47.66 0.94 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.562 ' O ' HG23 ' A' ' 25' ' ' VAL . 2.9 mp0 -98.8 -49.95 4.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.919 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -70.02 -17.32 63.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.462 ' HG3' ' N ' ' A' ' 24' ' ' LEU . 15.8 ptmt -92.02 -44.27 8.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.462 ' N ' ' HG3' ' A' ' 23' ' ' LYS . 48.2 tp -58.05 -31.2 66.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.602 HG13 HG11 ' A' ' 42' ' ' VAL . 59.2 t -78.31 -41.44 26.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.535 ' CE1' ' HB3' ' A' ' 65' ' ' LEU . 52.8 t80 -60.51 -35.58 76.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -67.5 -31.91 72.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.539 HD13 ' HB2' ' A' ' 45' ' ' LYS . 39.6 mt -73.74 -38.87 52.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.117 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.628 HD13 HD13 ' A' ' 66' ' ' ILE . 74.1 mt -63.81 -55.23 23.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.33 -24.73 60.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -69.79 -37.87 76.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.546 ' HB1' ' O ' ' A' ' 36' ' ' GLY . . . -55.91 -39.26 71.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.55 -173.61 40.56 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.479 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.442 ' O ' ' HE1' ' A' ' 81' ' ' MET . 1.7 m120 -43.06 -47.62 5.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.88 0.371 . . . . 0.0 110.88 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 56.2 mttm -45.29 -39.89 7.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.546 ' O ' ' HB1' ' A' ' 32' ' ' ALA . . . 92.66 -174.37 36.18 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.515 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.432 ' HB ' ' HB2' ' A' ' 32' ' ' ALA . 14.4 tt -144.32 154.31 15.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.818 0.342 . . . . 0.0 111.12 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.545 ' CZ3' ' HD2' ' A' ' 40' ' ' ARG . 6.1 t90 -88.03 129.64 35.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 38' ' ' TRP . 1.9 t -34.91 -46.0 0.29 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.545 ' HD2' ' CZ3' ' A' ' 38' ' ' TRP . 78.0 mtt-85 -60.39 -60.31 4.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 40' ' ' ARG . 10.4 t0 -36.64 -31.43 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.602 HG11 HG13 ' A' ' 25' ' ' VAL . 93.4 t -70.96 -54.07 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.084 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 42' ' ' VAL . 13.4 mtm105 -35.47 -49.39 0.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -64.94 -53.76 41.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.966 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.539 ' HB2' HD13 ' A' ' 28' ' ' ILE . 59.2 mmtt -56.73 -63.12 1.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.912 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.442 ' CB ' HG22 ' A' ' 25' ' ' VAL . 91.8 p -62.04 -25.89 67.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.885 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 68.56 28.9 5.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.5 ' HB2' HD11 ' A' ' 53' ' ' ILE . 50.8 mt -112.14 156.6 41.7 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.623 0.725 . . . . 0.0 110.87 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 158.19 57.74 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.703 2.269 . . . . 0.0 112.31 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.667 HD13 ' C ' ' A' ' 50' ' ' LEU . 3.2 tm? -49.2 -46.27 45.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.941 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.6 t -55.9 -22.48 26.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.101 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.466 ' O ' HD12 ' A' ' 56' ' ' ILE . 39.8 mm-40 -89.83 -47.13 8.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.5 HD11 ' HB2' ' A' ' 48' ' ' LEU . 1.7 mp -64.63 -25.2 37.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.169 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.579 ' ND2' HD11 ' A' ' 50' ' ' LEU . 9.3 m-20 -75.13 -52.18 11.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 56' ' ' ILE . 9.2 pttp -67.92 -35.52 78.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.467 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 43.3 mt -71.73 -54.47 16.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.13 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.514 ' O ' HD11 ' A' ' 66' ' ' ILE . 26.0 mt -48.58 -44.71 37.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.893 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' A' ' 61' ' ' GLU . 34.6 tttp -71.55 -62.36 1.44 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 55' ' ' LYS . 2.1 m-80 -35.04 -44.39 0.23 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 71.0 mt -62.71 -45.35 93.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.65 ' OE2' ' HB2' ' A' ' 68' ' ' ALA . 47.5 mt-10 -56.98 -19.32 17.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 t -88.85 -28.3 20.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.824 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.9 mttm -86.13 14.44 6.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 33.2 mmtm 57.32 29.45 16.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.911 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.535 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 20.8 mt -93.76 -39.78 10.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.628 HD13 HD13 ' A' ' 29' ' ' ILE . 24.5 pt -138.81 -177.29 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.156 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.412 ' CD ' ' HA ' ' A' ' 83' ' ' TYR . 1.5 ptmt -152.2 169.42 22.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.65 ' HB2' ' OE2' ' A' ' 61' ' ' GLU . . . -108.76 121.54 45.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.132 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 97.1 t -125.37 146.4 31.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.087 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.4 ' NZ ' ' HE3' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -111.29 115.97 30.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.846 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 80.9 p -86.73 142.96 27.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.6 p -53.18 124.07 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.093 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -173.27 170.54 4.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.081 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -96.15 41.32 1.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.097 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.407 ' CB ' ' HD2' ' A' ' 77' ' ' LYS . 17.9 m -151.14 -179.0 6.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.877 -179.768 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.4 ' HE3' ' NZ ' ' A' ' 70' ' ' LYS . 0.6 OUTLIER -122.97 79.11 1.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.911 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.459 ' HB3' ' NE1' ' A' ' 38' ' ' TRP . 1.0 OUTLIER -104.34 176.15 5.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.858 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -131.18 106.12 8.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 10.4 t -94.77 144.09 10.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.103 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.511 ' CE1' HD13 ' A' ' 57' ' ' LEU . 95.5 m-85 -126.16 149.23 49.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.978 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.442 ' HE1' ' O ' ' A' ' 34' ' ' ASN . 10.6 ptp -162.83 170.26 18.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.7 mt -48.19 142.44 5.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.418 ' N ' ' HA ' ' A' ' 66' ' ' ILE . 55.7 t80 -67.65 -43.34 80.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -60.93 -35.84 77.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.8 mp -70.46 144.44 51.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 64.5 m -88.04 -52.42 5.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 103.88 -158.13 17.08 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.464 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 84.57 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.66 2.24 . . . . 0.0 112.35 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.5 t -65.29 123.86 20.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.7 m -129.14 82.35 2.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.471 -179.982 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 t -110.68 -59.56 1.94 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.91 0.386 . . . . 0.0 110.83 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t 65.56 41.91 3.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.832 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.41 159.24 15.06 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.47 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.4 m -136.61 171.62 14.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.884 0.373 . . . . 0.0 110.842 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -141.78 162.98 34.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.69 133.5 1.49 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.508 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -128.68 157.65 40.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.773 0.32 . . . . 0.0 110.859 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.5 m -128.96 153.31 47.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -103.55 -44.94 4.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.935 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -99.95 91.17 4.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -103.0 -42.26 5.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 74.81 -59.03 2.6 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.45 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.5 tmmm? -81.32 129.57 34.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.792 0.329 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 5.1 ppp? -113.03 150.62 31.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.23 164.75 19.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.86 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -163.63 112.19 0.5 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.518 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 95.1 p -85.99 -32.28 21.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.867 0.365 . . . . 0.0 110.851 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.7 152.76 23.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -81.2 -36.99 29.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.761 ' O ' HG23 ' A' ' 25' ' ' VAL . 90.7 mt-30 -41.54 -54.23 3.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.471 ' OE1' HD21 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -58.05 -33.42 69.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.9 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.2 mtpp -73.3 -61.02 1.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 51.3 tp -44.78 -38.94 4.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.818 HG21 HD13 ' A' ' 56' ' ' ILE . 47.6 t -68.92 -52.45 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.464 ' HA ' HD12 ' A' ' 29' ' ' ILE . 59.4 t80 -56.87 -31.68 65.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 41.0 mm-40 -71.62 -30.47 65.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.631 HD13 ' CB ' ' A' ' 45' ' ' LYS . 43.4 mt -77.81 -32.25 17.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.155 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.542 HD13 HD13 ' A' ' 66' ' ' ILE . 52.8 mt -68.31 -53.3 29.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.136 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -56.64 -31.66 64.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.865 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -66.04 -34.34 77.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.894 ' HB1' ' O ' ' A' ' 36' ' ' GLY . . . -53.47 -37.14 62.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.158 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 84.22 -175.04 51.18 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.462 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -42.27 -44.68 3.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.873 0.368 . . . . 0.0 110.888 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 19.5 mtpt -47.98 -39.7 20.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.894 ' O ' ' HB1' ' A' ' 32' ' ' ALA . . . 94.95 -165.93 25.8 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.474 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.498 ' HB ' ' HB2' ' A' ' 32' ' ' ALA . 20.6 tt -153.11 139.93 12.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.835 0.35 . . . . 0.0 111.082 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.581 ' CZ3' ' HD3' ' A' ' 40' ' ' ARG . 1.0 OUTLIER -81.05 130.23 34.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.904 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.541 ' HA ' HD11 ' A' ' 57' ' ' LEU . 7.7 t -34.74 -42.65 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.841 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.581 ' HD3' ' CZ3' ' A' ' 38' ' ' TRP . 27.1 mtp85 -57.26 -55.84 29.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -40.85 -39.42 1.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.581 ' CG1' HG13 ' A' ' 25' ' ' VAL . 40.9 t -60.37 -53.47 48.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.153 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -38.16 -41.61 0.61 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.841 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -80.65 -57.47 3.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.972 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.631 ' CB ' HD13 ' A' ' 28' ' ' ILE . 50.8 mmtt -51.04 -60.78 2.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.865 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.499 ' CB ' HG22 ' A' ' 25' ' ' VAL . 17.5 m -69.44 -20.53 63.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 17.9 m120 64.8 28.69 12.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.469 HD13 ' CD1' ' A' ' 56' ' ' ILE . 19.8 mt -108.74 157.97 35.31 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.621 0.724 . . . . 0.0 110.876 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 155.19 66.73 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.672 2.248 . . . . 0.0 112.369 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.747 ' O ' HD13 ' A' ' 50' ' ' LEU . 2.2 tm? -46.98 -47.03 21.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.883 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 15.3 t -58.21 -25.87 62.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.587 ' O ' HD12 ' A' ' 56' ' ' ILE . 27.5 mm-40 -84.59 -40.59 17.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.8 mp -67.29 -34.0 66.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.154 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -68.72 -50.29 51.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 56' ' ' ILE . 17.9 ptpt -64.99 -42.5 94.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.818 HD13 HG21 ' A' ' 25' ' ' VAL . 29.7 mt -65.54 -58.32 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.159 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.747 HD13 ' CE1' ' A' ' 80' ' ' TYR . 33.5 mt -47.3 -39.39 14.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 59' ' ' ASN . 27.7 ttpt -75.68 -60.7 2.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 58' ' ' LYS . 15.0 m-80 -36.15 -47.99 0.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.912 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.471 HD21 ' OE1' ' A' ' 22' ' ' GLU . 65.0 mt -61.8 -48.28 81.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.601 ' OE2' ' HB2' ' A' ' 68' ' ' ALA . 7.7 mt-10 -51.12 -19.11 1.02 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.94 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 t -91.25 -33.78 15.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.839 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.6 mttp -79.93 12.08 2.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.3 mmmt 59.66 29.53 19.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 75.1 mt -94.28 -35.97 12.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.542 HD13 HD13 ' A' ' 29' ' ' ILE . 33.3 pt -144.08 -178.01 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.137 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.4 pttp -151.24 162.45 40.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.975 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.601 ' HB2' ' OE2' ' A' ' 61' ' ' GLU . . . -98.52 127.89 44.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.126 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.443 HG12 ' N ' ' A' ' 70' ' ' LYS . 84.3 t -126.87 154.67 37.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.146 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.443 ' N ' HG12 ' A' ' 69' ' ' VAL . 0.6 OUTLIER -125.59 121.12 32.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.91 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.8 160.65 27.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.852 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.9 p -50.58 -31.26 9.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.121 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.35 127.8 23.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.033 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.34 99.98 11.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.121 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.2 t -172.57 159.5 4.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 45.3 mmtt -72.35 78.84 1.01 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.67 150.78 49.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -130.68 107.08 8.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 31.5 t -98.91 152.52 4.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.153 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.747 ' CE1' HD13 ' A' ' 57' ' ' LEU . 49.8 m-85 -134.4 149.13 50.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 10.1 ptp -159.74 175.03 13.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.892 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.476 ' HB2' ' CD1' ' A' ' 85' ' ' LEU . 14.4 mt -54.65 138.01 42.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -72.2 -27.49 62.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 31.7 m120 -65.34 -38.13 89.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.854 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.476 ' CD1' ' HB2' ' A' ' 82' ' ' LEU . 27.3 mt -61.12 164.01 5.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.7 t -97.23 161.42 13.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -116.92 175.12 15.55 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.505 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -3.48 12.1 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.676 2.251 . . . . 0.0 112.328 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 32.5 t -48.04 99.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.814 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 16.6 m -81.7 112.69 19.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.498 -179.96 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.1 p -164.45 167.77 19.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.888 0.375 . . . . 0.0 110.876 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 t -171.14 127.93 0.71 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.46 155.12 24.72 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.432 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.9 p -167.94 107.31 0.53 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.887 0.375 . . . . 0.0 110.85 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.3 p -54.84 172.66 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.856 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.57 45.55 1.25 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.477 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -98.14 150.45 21.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.867 0.365 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.2 t 63.52 43.41 5.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 11' ' ' ASN . 24.9 tt0 -87.88 104.18 16.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.893 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 10' ' ' GLN . 11.8 m-80 36.9 42.38 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.46 -43.49 55.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 112.32 42.02 1.01 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.487 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.3 tptt -116.56 147.75 41.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.746 0.308 . . . . 0.0 110.865 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.0 mmt -44.0 142.14 1.47 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.7 mmmm -97.16 116.96 30.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.946 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 159.34 -167.9 35.14 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.463 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 58.1 m -116.42 -56.5 2.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.894 0.378 . . . . 0.0 110.86 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.5 169.12 18.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -113.9 39.72 2.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.566 ' O ' HG23 ' A' ' 25' ' ' VAL . 84.2 mt-30 -99.19 -41.02 7.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.947 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -67.6 -24.12 65.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.448 ' HG3' ' N ' ' A' ' 24' ' ' LEU . 20.2 pttt -81.74 -34.29 30.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.448 ' N ' ' HG3' ' A' ' 23' ' ' LYS . 60.0 tp -72.22 -32.29 66.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.695 HG13 HG11 ' A' ' 42' ' ' VAL . 58.8 t -75.43 -44.87 41.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -59.16 -38.55 80.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.957 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.32 -38.12 88.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.937 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.435 HD13 ' HB2' ' A' ' 45' ' ' LYS . 20.1 mt -71.56 -35.01 54.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.169 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 92.9 mt -63.64 -48.93 84.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.098 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -63.89 -24.83 67.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -69.75 -38.08 76.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.574 ' HB1' ' O ' ' A' ' 36' ' ' GLY . . . -53.14 -38.14 62.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.084 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.54 -179.84 41.95 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.485 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.48 ' O ' ' CE ' ' A' ' 81' ' ' MET . 5.7 t-20 -45.14 -35.45 3.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.884 0.373 . . . . 0.0 110.851 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 27.2 mmtp -51.42 -45.2 62.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.574 ' O ' ' HB1' ' A' ' 32' ' ' ALA . . . 104.09 -175.24 22.9 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.445 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.527 ' O ' HG13 ' A' ' 79' ' ' VAL . 17.2 tt -148.12 151.81 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.842 0.353 . . . . 0.0 111.166 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.474 ' NE1' ' HB2' ' A' ' 77' ' ' LYS . 9.3 t90 -92.29 128.01 37.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.428 ' HA ' HD11 ' A' ' 57' ' ' LEU . 76.2 p -38.94 -38.9 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.431 ' O ' ' CE2' ' A' ' 44' ' ' TYR . 34.7 ttm-85 -62.24 -41.57 98.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 38' ' ' TRP . 5.5 t70 -59.13 -42.44 90.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.695 HG11 HG13 ' A' ' 25' ' ' VAL . 54.6 t -58.1 -49.96 79.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.159 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.479 ' CZ ' ' HB3' ' A' ' 43' ' ' ARG . 6.8 mtp-105 -35.2 -45.75 0.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.431 ' CE2' ' O ' ' A' ' 40' ' ' ARG . 4.4 m-85 -74.08 -55.83 5.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.435 ' HB2' HD13 ' A' ' 28' ' ' ILE . 0.7 OUTLIER -55.1 -63.17 1.24 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.898 179.914 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.547 ' CB ' HG22 ' A' ' 25' ' ' VAL . 78.2 p -60.92 -15.64 33.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 51.8 t30 56.2 36.07 26.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.931 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.534 HD11 ' HB3' ' A' ' 21' ' ' GLN . 28.1 mt -120.26 157.62 52.97 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.559 0.695 . . . . 0.0 110.953 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 155.78 65.11 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.681 2.254 . . . . 0.0 112.351 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.623 HD13 ' C ' ' A' ' 50' ' ' LEU . 3.0 tm? -47.48 -47.48 27.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.922 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.8 t -57.08 -24.73 56.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.164 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.503 ' O ' HD12 ' A' ' 56' ' ' ILE . 26.7 mm-40 -86.03 -40.95 15.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.7 mp -67.09 -33.16 61.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.147 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -68.92 -54.85 13.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.3 ptmm? -63.47 -37.6 87.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.921 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.591 HD13 HG21 ' A' ' 25' ' ' VAL . 59.2 mt -69.64 -55.22 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.539 ' O ' HD11 ' A' ' 66' ' ' ILE . 41.6 mt -51.79 -36.31 47.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 59' ' ' ASN . 25.2 ttpt -71.92 -61.85 1.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.43 ' C ' ' O ' ' A' ' 58' ' ' LYS . 16.3 m-20 -35.05 -55.18 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.463 HD23 HD12 ' A' ' 65' ' ' LEU . 25.7 mt -55.9 -45.74 78.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.938 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 58' ' ' LYS . 54.7 mt-10 -58.2 -23.74 56.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.919 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.0 t -95.07 -24.73 16.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.4 mtpp -88.48 20.17 3.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.944 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.7 mmtt 52.42 44.0 30.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.463 HD12 HD23 ' A' ' 60' ' ' LEU . 70.8 mt -113.65 -31.74 6.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.933 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.539 HD11 ' O ' ' A' ' 57' ' ' LEU . 34.0 pt -147.54 -176.79 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.166 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 43.1 pttt -156.93 166.03 34.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -94.59 127.99 40.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.103 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.465 HG12 ' N ' ' A' ' 70' ' ' LYS . 72.7 t -125.23 156.17 34.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.084 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.465 ' N ' HG12 ' A' ' 69' ' ' VAL . 5.0 tppp? -122.77 141.27 52.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -105.59 167.32 9.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.441 ' O ' ' C ' ' A' ' 73' ' ' ALA . 9.9 p -68.17 -33.27 59.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.148 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 72' ' ' VAL . . . -33.51 -70.31 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.102 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -161.01 173.15 15.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.115 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 92.8 p -114.48 45.03 1.61 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.817 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.7 mmtm -126.44 48.0 2.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.474 ' HB2' ' NE1' ' A' ' 38' ' ' TRP . 0.4 OUTLIER -169.87 174.65 5.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.85 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.7 tptp -131.86 97.99 4.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.527 HG13 ' O ' ' A' ' 37' ' ' ILE . 15.1 t -86.19 147.11 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.123 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.476 ' CE1' HD13 ' A' ' 57' ' ' LEU . 39.6 m-85 -129.88 149.44 51.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.48 ' CE ' ' O ' ' A' ' 34' ' ' ASN . 7.6 ptp -157.12 167.75 29.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.459 ' HB2' ' CD1' ' A' ' 85' ' ' LEU . 28.4 mt -51.12 137.53 21.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.893 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.458 ' N ' ' HA ' ' A' ' 66' ' ' ILE . 25.9 t80 -75.8 -29.05 58.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 -66.21 -40.22 90.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.824 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.459 ' CD1' ' HB2' ' A' ' 82' ' ' LEU . 84.0 mt -56.04 138.35 49.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 68.7 m -64.2 -48.15 77.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 131.73 -173.01 20.72 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.463 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -0.36 6.83 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.638 2.225 . . . . 0.0 112.323 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 36.0 p -58.21 100.87 0.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 33.2 t -89.0 150.49 22.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.47 -179.986 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.8 m -123.95 98.18 5.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.899 0.38 . . . . 0.0 110.862 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.9 t -68.98 -49.39 58.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.35 70.64 0.76 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.518 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 m -107.18 96.08 6.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.88 0.371 . . . . 0.0 110.834 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.4 m -115.29 130.94 57.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.816 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.97 50.85 0.11 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.53 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -103.46 90.24 3.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.84 0.352 . . . . 0.0 110.856 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.2 t -173.47 127.47 0.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -141.22 138.83 33.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -131.97 105.26 7.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -107.21 -43.63 4.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.058 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 139.26 59.46 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.5 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -115.59 136.6 52.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.791 0.329 . . . . 0.0 110.91 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 10.7 mmm -47.77 170.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.845 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.2 mtmm -121.86 131.81 54.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 123.58 164.52 12.05 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.475 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.6 m -96.4 -59.11 1.9 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.926 0.393 . . . . 0.0 110.909 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -51.64 149.26 4.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.441 ' CB ' ' HD3' ' A' ' 23' ' ' LYS . 0.7 OUTLIER -118.71 52.56 1.03 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.901 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.515 ' O ' HG23 ' A' ' 25' ' ' VAL . 7.5 mp0 -100.18 -50.45 3.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -67.77 -19.63 65.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.441 ' HD3' ' CB ' ' A' ' 20' ' ' ASN . 12.7 ptmt -87.91 -33.8 18.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.406 ' N ' ' HG3' ' A' ' 23' ' ' LYS . 69.0 tp -74.29 -25.96 59.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 21' ' ' GLN . 92.1 t -81.43 -41.89 19.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.102 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.56 ' CE1' ' HB3' ' A' ' 65' ' ' LEU . 45.9 t80 -63.0 -23.37 67.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -83.8 -25.32 30.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.946 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.546 HG21 ' CB ' ' A' ' 45' ' ' LYS . 24.6 mt -81.52 -29.88 10.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.12 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.69 HG23 ' O ' ' A' ' 80' ' ' TYR . 37.0 mt -72.2 -48.4 49.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -60.54 -24.12 65.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -69.93 -38.31 76.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.55 ' HB1' ' O ' ' A' ' 36' ' ' GLY . . . -54.07 -33.89 58.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.1 -172.88 42.33 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.464 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.516 ' HA ' HD13 ' A' ' 85' ' ' LEU . 15.7 p-10 -49.23 -35.63 18.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.866 0.365 . . . . 0.0 110.908 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 29.1 mtmt -56.31 -31.55 63.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.55 ' O ' ' HB1' ' A' ' 32' ' ' ALA . . . 83.24 -173.61 51.92 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.535 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.476 HG12 ' N ' ' A' ' 38' ' ' TRP . 13.4 tt -145.66 157.86 12.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.772 0.32 . . . . 0.0 111.155 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.573 ' CH2' ' HD3' ' A' ' 40' ' ' ARG . 5.6 t90 -88.48 141.11 28.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.3 t -41.56 -56.88 2.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.573 ' HD3' ' CH2' ' A' ' 38' ' ' TRP . 1.0 OUTLIER -51.97 -62.25 1.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 40' ' ' ARG . 42.8 t0 -34.38 -38.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.498 HG11 HG13 ' A' ' 25' ' ' VAL . 19.9 t -63.12 -52.24 61.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.126 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 47' ' ' ASN . 30.5 mtp180 -34.27 -58.98 0.46 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -55.85 -51.79 66.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.939 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.546 ' CB ' HG21 ' A' ' 28' ' ' ILE . 46.5 mmtt -55.01 -63.21 1.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.888 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.466 ' HB3' HG22 ' A' ' 25' ' ' VAL . 51.0 p -68.58 -10.16 54.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 43' ' ' ARG . 19.8 t-20 56.11 26.58 10.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.413 ' HB2' HD11 ' A' ' 53' ' ' ILE . 28.9 mt -109.35 156.78 38.85 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.602 0.715 . . . . 0.0 110.887 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 157.37 60.59 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.657 2.238 . . . . 0.0 112.362 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.593 HD13 ' C ' ' A' ' 50' ' ' LEU . 3.4 tm? -48.58 -46.59 39.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.6 t -57.25 -23.84 50.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.151 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.522 ' O ' HD12 ' A' ' 56' ' ' ILE . 38.9 mm-40 -87.88 -41.75 12.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.413 HD11 ' HB2' ' A' ' 48' ' ' LEU . 1.7 mp -68.37 -30.18 46.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.098 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -72.02 -53.25 13.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 56' ' ' ILE . 0.2 OUTLIER -66.27 -36.7 83.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 179.92 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.522 HD12 ' O ' ' A' ' 52' ' ' GLU . 60.6 mt -70.26 -54.52 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.161 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.581 HD13 ' CE2' ' A' ' 80' ' ' TYR . 35.7 mt -50.51 -41.77 53.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 59' ' ' ASN . 22.7 ttmt -65.6 -60.47 2.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 58' ' ' LYS . 2.2 m-80 -35.2 -50.44 0.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 71.4 mt -56.84 -47.67 79.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 58' ' ' LYS . 41.6 mt-10 -55.78 -16.48 4.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.2 t -91.17 -25.69 19.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.8 mttm -91.45 13.19 18.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.6 mttp 59.42 26.27 15.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.904 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.56 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 70.8 mt -89.17 -32.59 17.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.434 HD12 ' HB3' ' A' ' 80' ' ' TYR . 19.4 pt -145.45 -175.36 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.9 pttm -160.64 158.25 28.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.417 ' N ' ' OE2' ' A' ' 61' ' ' GLU . . . -92.83 123.59 36.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.101 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 86.7 t -126.52 147.34 31.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.093 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -120.02 96.23 5.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 72' ' ' VAL . 1.2 t -82.06 157.4 24.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.812 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.436 ' C ' ' O ' ' A' ' 71' ' ' SER . 8.5 p -34.87 126.65 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.081 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -171.73 139.22 1.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.126 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.53 39.14 0.82 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.14 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.0 m -171.24 152.87 3.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.3 mmmt -68.46 123.66 21.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -151.92 173.84 14.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -147.03 120.94 9.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.459 HG13 ' N ' ' A' ' 37' ' ' ILE . 46.2 t -108.14 133.98 51.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.135 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.69 ' O ' HG23 ' A' ' 29' ' ' ILE . 94.5 m-85 -109.85 113.16 25.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 19.0 ptp -127.13 176.12 7.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 28.6 mt -56.62 138.03 52.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -71.35 -28.5 64.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 23.8 t30 -61.25 -40.1 92.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.516 HD13 ' HA ' ' A' ' 34' ' ' ASN . 14.2 mt -51.17 161.8 0.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.0 m -114.4 41.78 2.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 78.35 162.1 19.75 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.497 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 172.14 13.17 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.682 2.255 . . . . 0.0 112.347 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.2 m -109.19 147.32 32.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.842 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.0 t -61.15 122.87 16.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.508 -179.992 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.9 t -148.67 125.37 11.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.853 0.359 . . . . 0.0 110.846 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t -156.46 162.36 39.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.02 133.45 1.61 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.532 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m -167.76 157.7 10.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.844 0.354 . . . . 0.0 110.847 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.1 p -156.6 167.32 30.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.812 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.25 100.73 2.27 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.528 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.45 97.85 4.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.786 0.327 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.2 p -139.69 128.75 23.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -110.2 33.03 4.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -79.03 169.86 17.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -92.39 -44.09 8.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.094 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -175.0 156.4 22.48 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.545 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.5 ttmm -110.82 122.3 47.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.763 0.316 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.24 162.2 25.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.864 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -147.84 145.2 28.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -126.46 95.22 0.44 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.462 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.4 m -38.67 133.51 1.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.903 0.383 . . . . 0.0 110.86 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 20' ' ' ASN . 5.4 m-20 54.79 40.89 32.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.428 ' C ' ' O ' ' A' ' 19' ' ' ASP . 49.1 m-80 35.18 51.44 0.57 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.476 ' O ' HG23 ' A' ' 25' ' ' VAL . 88.0 mt-30 -91.0 -59.92 2.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -52.62 -31.29 35.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.01 -60.34 2.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.909 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 44.5 tp -46.63 -31.46 2.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.634 HG21 HD13 ' A' ' 56' ' ' ILE . 95.1 t -75.81 -49.56 25.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.146 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.41 ' HA ' HD12 ' A' ' 29' ' ' ILE . 76.7 t80 -58.5 -34.07 70.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.921 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -69.17 -31.71 70.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 31.5 mt -76.31 -32.79 22.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.107 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.549 HG23 ' O ' ' A' ' 80' ' ' TYR . 51.3 mt -69.54 -56.39 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.16 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.618 ' HB2' HD11 ' A' ' 82' ' ' LEU . 13.5 pt-20 -58.3 -31.78 67.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -62.99 -37.47 87.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.403 ' HB1' ' O ' ' A' ' 36' ' ' GLY . . . -53.15 -39.3 63.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.088 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.5 -165.61 26.2 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.483 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.471 ' HA ' HD13 ' A' ' 85' ' ' LEU . 9.8 p30 -52.74 -45.68 67.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.95 0.405 . . . . 0.0 110.897 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.3 mmtt -48.12 -37.2 14.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.403 ' O ' ' HB1' ' A' ' 32' ' ' ALA . . . 88.39 -174.13 43.08 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.517 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.474 HG12 ' N ' ' A' ' 38' ' ' TRP . 14.2 tt -140.86 159.43 23.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.865 0.365 . . . . 0.0 111.099 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.564 ' CZ3' ' HD2' ' A' ' 40' ' ' ARG . 2.2 t90 -94.32 130.62 40.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 38' ' ' TRP . 31.5 t -34.14 -51.96 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.564 ' HD2' ' CZ3' ' A' ' 38' ' ' TRP . 37.2 mtt85 -57.4 -58.1 9.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.825 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 40' ' ' ARG . 1.7 t70 -35.88 -37.53 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.554 HG11 HG13 ' A' ' 25' ' ' VAL . 57.7 t -65.73 -53.22 40.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 42' ' ' VAL . 19.6 mtp180 -34.0 -51.13 0.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -66.19 -55.0 18.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -53.95 -63.23 1.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.474 ' OG ' HG22 ' A' ' 25' ' ' VAL . 1.9 m -62.82 -25.74 68.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.808 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 70.02 25.03 4.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 24.2 mt -108.09 157.14 36.97 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.581 0.705 . . . . 0.0 110.929 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 155.03 66.99 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.672 2.248 . . . . 0.0 112.319 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.742 ' O ' HD13 ' A' ' 50' ' ' LEU . 1.7 tm? -48.37 -46.06 36.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.7 t -55.63 -24.83 35.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.163 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.626 ' O ' HD12 ' A' ' 56' ' ' ILE . 31.8 mm-40 -87.07 -43.54 12.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.409 HD12 ' N ' ' A' ' 53' ' ' ILE . 1.7 mp -65.74 -39.16 84.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.127 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.598 ' ND2' HD11 ' A' ' 50' ' ' LEU . 11.1 m-20 -63.72 -51.36 65.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.851 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.479 ' HG3' ' N ' ' A' ' 56' ' ' ILE . 18.4 ptpt -64.67 -41.22 96.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.634 HD13 HG21 ' A' ' 25' ' ' VAL . 26.1 mt -66.26 -57.84 8.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.148 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.604 ' O ' HD11 ' A' ' 66' ' ' ILE . 46.0 mt -44.88 -40.51 6.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.954 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' A' ' 61' ' ' GLU . 18.1 ttmt -68.12 -64.88 0.77 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 58' ' ' LYS . 26.3 m-20 -35.16 -50.85 0.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.448 ' CB ' HG12 ' A' ' 66' ' ' ILE . 77.9 mt -57.3 -42.32 81.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.506 ' OE2' ' HB2' ' A' ' 68' ' ' ALA . 64.4 mt-10 -63.99 -24.18 67.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 t -90.73 -25.19 20.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.6 mtpp -91.09 21.57 4.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.907 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 60.3 mmtt 50.86 38.54 20.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 43.2 mt -106.38 -32.3 8.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.604 HD11 ' O ' ' A' ' 57' ' ' LEU . 18.9 pt -147.18 178.12 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.154 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.421 ' NZ ' ' C ' ' A' ' 86' ' ' SER . 34.2 pttt -152.54 164.57 37.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.506 ' HB2' ' OE2' ' A' ' 61' ' ' GLU . . . -101.39 122.03 43.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 70.0 t -126.41 143.48 39.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.5 mtpt -109.61 109.8 20.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.8 t -76.46 164.26 26.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.848 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.517 ' O ' HG13 ' A' ' 72' ' ' VAL . 7.1 p -48.84 112.37 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.157 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -173.48 157.88 3.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.066 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -91.24 -55.45 3.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 41.1 m -58.38 171.53 0.58 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.824 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.7 tppt? -87.12 130.46 34.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.935 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? -148.53 175.74 10.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.438 ' HG2' ' CE1' ' A' ' 80' ' ' TYR . 28.2 tttp -151.62 114.29 4.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 40.9 t -107.6 138.99 31.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.175 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.552 ' CE1' HD13 ' A' ' 57' ' ' LEU . 77.8 m-85 -117.62 123.75 46.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 14.9 ptp -134.69 177.97 7.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.874 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.618 HD11 ' HB2' ' A' ' 30' ' ' GLU . 8.4 mt -58.16 140.92 51.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.961 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -66.21 -33.77 76.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.934 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -61.11 -40.37 93.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.471 HD13 ' HA ' ' A' ' 34' ' ' ASN . 42.0 mt -57.57 132.71 54.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.95 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.421 ' C ' ' NZ ' ' A' ' 67' ' ' LYS . 34.3 t -63.51 170.7 2.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -153.34 164.13 30.9 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.519 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 172.7 12.16 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.685 2.257 . . . . 0.0 112.333 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.9 t -71.4 132.44 44.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.828 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.8 m -53.39 123.47 12.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.441 -179.96 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.3 p -150.81 151.95 33.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.85 0.357 . . . . 0.0 110.898 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 4' ' ' GLY . 6.0 t -57.61 176.45 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.82 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 3' ' ' SER . . . -36.19 110.23 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.479 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.9 p -174.25 174.33 2.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.89 0.376 . . . . 0.0 110.872 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -61.72 -54.08 47.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.91 79.75 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.485 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -144.53 166.8 24.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.849 0.356 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.1 t -160.66 148.19 15.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.846 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -89.65 138.82 31.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 -83.69 46.42 1.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.59 -41.63 16.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.104 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 102.39 -161.89 16.99 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.53 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.47 ' HE2' ' N ' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -79.89 141.41 36.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.743 0.306 . . . . 0.0 110.957 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 56.33 41.19 29.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.87 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? 47.96 52.95 12.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 54.88 61.72 7.04 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.466 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.4 m -125.08 160.29 29.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.852 0.358 . . . . 0.0 110.844 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.28 140.73 38.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.868 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -43.57 -38.29 2.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.678 ' O ' HG23 ' A' ' 25' ' ' VAL . 81.0 mt-30 -46.18 -48.16 17.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -65.4 -26.48 68.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.856 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.6 mtmt -78.12 -60.21 2.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 35.2 tp -41.94 -38.98 1.72 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 21' ' ' GLN . 21.9 t -72.12 -46.64 57.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.466 ' CE1' ' HB3' ' A' ' 65' ' ' LEU . 60.0 t80 -59.3 -28.31 66.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -77.47 -43.59 31.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.902 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.629 HG21 ' CB ' ' A' ' 45' ' ' LYS . 25.7 mt -63.34 -37.78 80.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.491 HD13 HD13 ' A' ' 66' ' ' ILE . 74.0 mt -63.11 -58.81 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -52.47 -26.75 13.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -64.72 -42.22 95.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.431 ' HB2' ' HB ' ' A' ' 37' ' ' ILE . . . -53.52 -39.39 64.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.119 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.78 -160.08 30.96 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.476 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.528 ' O ' ' HE1' ' A' ' 81' ' ' MET . 5.1 m-20 -54.12 -47.49 71.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.9 0.381 . . . . 0.0 110.893 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.4 ptpt -45.04 -29.72 0.92 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.469 ' HA3' ' CG1' ' A' ' 79' ' ' VAL . . . 83.02 179.16 52.59 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.496 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.431 ' HB ' ' HB2' ' A' ' 32' ' ' ALA . 15.5 tt -136.23 150.33 27.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.835 0.35 . . . . 0.0 111.145 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.544 ' CE3' ' HB2' ' A' ' 40' ' ' ARG . 4.1 t90 -84.99 127.44 34.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 38' ' ' TRP . 86.1 p -35.0 -42.9 0.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.823 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.544 ' HB2' ' CE3' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -60.86 -57.93 10.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -39.58 -30.66 0.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.638 ' CG1' HG13 ' A' ' 25' ' ' VAL . 58.3 t -69.78 -41.92 79.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' A' ' 40' ' ' ARG . 40.9 mtp180 -48.77 -37.05 17.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.815 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -81.19 -63.38 1.42 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.629 ' CB ' HG21 ' A' ' 28' ' ' ILE . 14.6 mmmm -48.18 -55.1 11.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.468 ' N ' HD13 ' A' ' 28' ' ' ILE . 5.9 m -71.14 -14.35 62.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.799 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.6 m120 56.73 31.85 20.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 32.2 mt -117.05 156.26 48.55 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.588 0.709 . . . . 0.0 110.934 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 155.22 66.59 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.708 2.272 . . . . 0.0 112.366 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.5 HD13 ' C ' ' A' ' 50' ' ' LEU . 3.4 tm? -47.03 -49.42 21.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.918 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.3 t -54.03 -25.29 20.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.168 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.607 ' O ' HD12 ' A' ' 56' ' ' ILE . 35.3 mm-40 -87.32 -39.57 15.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.429 ' N ' HD12 ' A' ' 53' ' ' ILE . 1.8 mp -69.31 -33.84 59.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.133 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -67.64 -52.96 32.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.469 ' HG3' ' N ' ' A' ' 56' ' ' ILE . 16.6 ptpt -65.61 -41.78 92.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.607 HD12 ' O ' ' A' ' 52' ' ' GLU . 43.0 mt -65.86 -56.73 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.526 ' O ' HD11 ' A' ' 66' ' ' ILE . 33.8 mt -47.56 -43.36 25.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' A' ' 61' ' ' GLU . 8.7 tptp -67.71 -63.0 1.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 58' ' ' LYS . 15.1 m-80 -34.99 -51.18 0.51 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.888 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 65.5 mt -55.88 -42.88 76.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 58' ' ' LYS . 48.6 mt-10 -61.17 -17.84 55.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.2 t -90.8 -26.58 19.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.9 mttm -92.11 19.43 6.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.495 ' HG2' ' CE2' ' A' ' 83' ' ' TYR . 14.5 mtpp 53.67 31.76 13.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.466 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 23.6 mt -96.14 -28.28 14.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.949 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.526 HD11 ' O ' ' A' ' 57' ' ' LEU . 19.7 pt -153.04 176.95 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.9 pttp -150.86 160.99 43.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.898 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.485 ' HB2' ' OE2' ' A' ' 61' ' ' GLU . . . -98.71 127.65 44.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.079 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.506 HG21 ' HE3' ' A' ' 81' ' ' MET . 93.0 t -123.92 146.15 29.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.4 tptm -114.27 109.09 17.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.1 t -63.89 159.98 18.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.856 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.7 p -43.45 -29.66 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.123 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -83.28 92.61 7.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.115 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.4 90.12 8.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.068 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 52.6 m -128.03 51.6 1.95 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.844 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 57.01 35.03 25.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.9 mtmm -98.71 -178.42 3.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.59 105.76 1.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.469 ' CG1' ' HA3' ' A' ' 36' ' ' GLY . 20.4 t -97.93 154.23 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.109 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -135.46 136.15 41.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.528 ' HE1' ' O ' ' A' ' 34' ' ' ASN . 9.2 ptp -147.08 165.58 29.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.8 mt -43.83 144.81 0.78 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.495 ' CE2' ' HG2' ' A' ' 64' ' ' LYS . 22.7 t80 -73.73 -29.36 62.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 60.8 t-20 -62.27 -40.22 95.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 18.7 mt -59.94 168.46 1.82 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 28.9 m -120.74 130.32 53.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.828 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -61.33 -177.22 2.21 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.446 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 142.36 47.57 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.672 2.248 . . . . 0.0 112.298 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 85.2 p -85.62 157.8 20.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.856 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 16.3 t -85.27 -55.69 3.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.512 179.995 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.8 p -155.22 166.63 32.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.854 0.359 . . . . 0.0 110.888 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 t -121.64 151.52 40.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.3 142.45 5.7 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.441 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -156.44 158.76 37.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.846 0.355 . . . . 0.0 110.876 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -152.23 174.82 13.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.39 82.93 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.494 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -111.7 100.35 8.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.836 0.351 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.1 t -85.05 42.44 0.93 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -163.48 108.11 1.05 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -72.13 -50.47 27.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.74 -44.18 15.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.099 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 69.0 104.75 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.519 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.408 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 2.6 mppt? -97.95 136.51 38.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.793 0.33 . . . . 0.0 110.875 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 20.5 ttm -48.02 112.49 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.8 pttt -100.46 133.32 45.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -179.56 166.63 36.05 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.5 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.5 m -85.78 -43.27 13.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.86 0.362 . . . . 0.0 110.864 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.437 ' O ' ' NE2' ' A' ' 21' ' ' GLN . 9.5 m-20 -72.33 -53.3 12.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.437 ' CG ' ' C ' ' A' ' 19' ' ' ASP . 0.7 OUTLIER 48.01 48.13 18.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.55 ' O ' HG23 ' A' ' 25' ' ' VAL . 1.4 mp0 -90.56 -40.08 12.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -70.44 -19.74 62.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.461 ' HG3' ' N ' ' A' ' 24' ' ' LEU . 3.1 pttp -82.15 -30.65 30.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.957 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.461 ' N ' ' HG3' ' A' ' 23' ' ' LYS . 27.9 tp -76.57 -26.66 55.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.6 HG13 HG11 ' A' ' 42' ' ' VAL . 37.1 t -80.68 -39.84 18.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.135 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -62.89 -39.08 93.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -63.55 -37.13 86.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.614 HD13 ' HB2' ' A' ' 45' ' ' LYS . 50.5 mt -68.85 -40.24 81.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.422 HG23 ' O ' ' A' ' 80' ' ' TYR . 64.4 mt -62.69 -52.89 54.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -58.59 -27.9 65.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -64.58 -40.24 95.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.443 ' HB1' ' O ' ' A' ' 36' ' ' GLY . . . -53.96 -39.82 66.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.87 -143.11 16.29 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.468 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -76.43 -24.82 53.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.922 0.391 . . . . 0.0 110.95 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 20.5 pttt -70.53 -5.98 32.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.443 ' O ' ' HB1' ' A' ' 32' ' ' ALA . . . 59.14 -175.56 2.99 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.44 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.65 HD13 HG22 ' A' ' 42' ' ' VAL . 13.1 tt -143.13 149.92 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.836 0.351 . . . . 0.0 111.115 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.467 ' CE3' ' HB3' ' A' ' 40' ' ' ARG . 12.9 t90 -80.89 137.55 36.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 65.6 p -43.67 -42.55 5.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.467 ' HB3' ' CE3' ' A' ' 38' ' ' TRP . 38.3 ttt180 -67.11 -55.59 13.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.879 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -41.18 -30.56 0.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.65 HG22 HD13 ' A' ' 37' ' ' ILE . 97.2 t -71.98 -51.28 31.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.167 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 42' ' ' VAL . 32.0 mtp180 -34.1 -54.29 0.49 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -59.84 -56.91 15.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.953 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.614 ' HB2' HD13 ' A' ' 28' ' ' ILE . 41.5 mmtt -51.91 -61.49 2.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.918 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 89.9 p -68.06 -11.92 59.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 54.05 26.94 6.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.523 HD21 ' HG3' ' A' ' 21' ' ' GLN . 36.1 mt -107.07 157.19 35.96 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.605 0.717 . . . . 0.0 110.934 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 155.17 66.68 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.747 2.298 . . . . 0.0 112.303 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.726 ' O ' HD13 ' A' ' 50' ' ' LEU . 0.5 OUTLIER -48.9 -44.26 40.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.916 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.6 t -58.38 -24.09 58.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.13 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.446 ' O ' HD12 ' A' ' 56' ' ' ILE . 7.3 mm-40 -87.18 -44.4 11.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.484 HD11 ' HB2' ' A' ' 48' ' ' LEU . 1.7 mp -66.22 -36.2 76.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.171 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.448 ' ND2' HD11 ' A' ' 50' ' ' LEU . 9.0 m-20 -68.17 -52.49 33.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -67.41 -37.67 83.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.446 HD12 ' O ' ' A' ' 52' ' ' GLU . 52.2 mt -70.15 -55.38 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.132 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.678 HD13 ' CE2' ' A' ' 80' ' ' TYR . 18.7 mt -45.2 -48.29 12.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 40.8 tttm -66.1 -57.99 6.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 26.1 m-20 -41.39 -29.32 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 84.1 mt -76.46 -44.84 33.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -58.59 -17.19 19.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.2 t -86.78 -35.03 19.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.4 mttp -80.9 12.1 3.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.586 ' HD2' ' CE2' ' A' ' 83' ' ' TYR . 17.0 mmtp 58.4 36.83 25.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.868 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 97.5 mt -101.43 -31.03 11.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.897 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.414 ' HA ' ' N ' ' A' ' 83' ' ' TYR . 5.9 pt -145.05 -175.02 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.401 ' NZ ' ' C ' ' A' ' 87' ' ' GLY . 1.2 ptmt -158.19 167.65 29.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -101.01 122.77 44.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.083 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.497 HG22 ' HD2' ' A' ' 88' ' ' PRO . 91.4 t -126.92 97.91 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.146 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.1 tptp -77.68 99.32 5.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.9 p -64.9 155.21 35.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.449 ' O ' HG13 ' A' ' 72' ' ' VAL . 7.1 p -56.91 121.46 4.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.153 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -171.26 174.03 4.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.101 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -95.07 -56.62 2.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 79.8 p -67.99 148.18 51.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 36.6 mmtm -65.15 140.6 58.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? -156.69 174.5 15.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.8 tptm -152.16 106.42 3.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 13.2 t -100.95 136.25 33.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.678 ' CE2' HD13 ' A' ' 57' ' ' LEU . 99.1 m-85 -122.34 128.73 51.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.946 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 9.4 ptp -138.44 174.0 11.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.904 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.458 ' HB2' ' CD1' ' A' ' 85' ' ' LEU . 14.6 mt -53.12 138.31 31.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.586 ' CE2' ' HD2' ' A' ' 64' ' ' LYS . 37.9 t80 -69.0 -26.46 65.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -66.66 -39.46 88.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.865 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.458 ' CD1' ' HB2' ' A' ' 82' ' ' LEU . 19.8 mt -58.48 143.06 46.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 78.4 p -55.09 144.67 23.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.401 ' C ' ' NZ ' ' A' ' 67' ' ' LYS . . . 166.91 -170.28 41.25 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.471 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.497 ' HD2' HG22 ' A' ' 69' ' ' VAL . 53.7 Cg_endo -69.76 107.85 1.95 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.709 2.272 . . . . 0.0 112.315 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 30.9 m -52.85 118.72 3.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.9 t -78.13 -51.32 10.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.85 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.47 -179.984 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 t -158.96 174.38 15.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.903 0.383 . . . . 0.0 110.864 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.5 m -126.25 -44.37 1.74 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.98 153.95 13.18 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.477 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.0 m -67.48 120.59 14.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.866 0.365 . . . . 0.0 110.859 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -162.92 145.41 10.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.907 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.0 -131.74 10.68 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.495 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 35.3 t70 64.17 42.67 5.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.822 0.344 . . . . 0.0 110.864 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 82.2 p -130.08 125.77 35.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -87.79 159.14 18.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.921 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 -99.26 41.63 1.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -93.23 -43.6 8.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.48 51.28 3.14 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.504 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.48 161.84 16.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.728 0.299 . . . . 0.0 110.93 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 34.8 mtt -89.49 100.3 13.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.1 tppt? -89.94 80.65 6.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.933 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 133.63 137.42 3.85 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.521 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 71.7 p -59.13 136.22 57.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.869 0.366 . . . . 0.0 110.864 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -164.11 142.36 7.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.819 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 70.0 m-20 -115.2 -28.55 6.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.893 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -65.63 -59.75 3.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -52.84 -16.52 1.03 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 31.9 mtpt -88.96 -58.33 2.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 37.7 tp -50.62 -28.06 8.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.608 HG21 HG21 ' A' ' 56' ' ' ILE . 91.6 t -79.41 -46.15 23.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.11 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.414 ' HA ' HD12 ' A' ' 29' ' ' ILE . 60.5 t80 -57.84 -39.09 76.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -67.39 -35.3 79.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.919 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.455 HD12 ' HA ' ' A' ' 25' ' ' VAL . 42.5 mt -68.15 -36.57 75.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.513 HD13 HG21 ' A' ' 66' ' ' ILE . 49.9 mt -65.91 -55.56 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.099 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -56.51 -24.45 46.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -67.64 -43.27 80.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.79 ' HB1' ' O ' ' A' ' 36' ' ' GLY . . . -53.78 -27.55 29.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.07 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.22 -153.26 26.39 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.463 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -65.42 -45.02 85.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.875 0.369 . . . . 0.0 110.901 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.6 mtmm -46.18 -38.46 8.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.79 ' O ' ' HB1' ' A' ' 32' ' ' ALA . . . 96.42 -167.13 24.57 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.488 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.494 HD13 HG22 ' A' ' 42' ' ' VAL . 15.8 tt -146.91 158.03 10.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.818 0.342 . . . . 0.0 111.162 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.51 ' CZ3' ' HD2' ' A' ' 40' ' ' ARG . 17.8 t90 -96.81 131.79 43.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 38' ' ' TRP . 3.7 t -35.31 -50.31 0.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.51 ' HD2' ' CZ3' ' A' ' 38' ' ' TRP . 7.1 ttm180 -54.06 -50.53 66.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.87 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -49.79 -51.78 37.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.544 HG11 HG13 ' A' ' 25' ' ' VAL . 73.2 t -53.02 -35.62 22.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.408 ' HA ' ' CD1' ' A' ' 53' ' ' ILE . 10.6 ttp180 -46.78 -67.07 0.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -60.85 -53.52 56.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.8 mmtm -44.11 -42.64 6.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 65.3 p -93.98 -7.82 41.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.835 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 56.84 26.92 12.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 67.6 mt -109.49 155.27 41.54 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.598 0.713 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 154.4 67.85 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.661 2.241 . . . . 0.0 112.374 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.658 ' O ' HD13 ' A' ' 50' ' ' LEU . 2.1 tm? -47.99 -45.55 31.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.4 t -54.69 -26.47 33.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -84.83 -48.61 9.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.47 HG22 HD12 ' A' ' 57' ' ' LEU . 1.8 mp -61.02 -29.29 45.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.16 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.475 ' ND2' ' CD1' ' A' ' 50' ' ' LEU . 17.0 m-20 -70.12 -55.27 9.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.46 ' HG3' ' N ' ' A' ' 56' ' ' ILE . 4.5 ptpp? -66.34 -34.16 77.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.608 HG21 HG21 ' A' ' 25' ' ' VAL . 57.3 mt -72.16 -52.08 26.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.489 HD13 ' CE2' ' A' ' 80' ' ' TYR . 32.9 mt -51.48 -38.88 56.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.497 ' O ' ' N ' ' A' ' 61' ' ' GLU . 20.1 tttp -68.73 -62.33 1.43 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 58' ' ' LYS . 2.1 m-80 -35.56 -50.63 0.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.457 ' CB ' HG12 ' A' ' 66' ' ' ILE . 66.4 mt -59.08 -41.2 87.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.981 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.564 ' OE2' ' HB2' ' A' ' 68' ' ' ALA . 53.3 mt-10 -64.97 -20.43 66.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 t -96.16 -25.58 15.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.3 mtpp -87.71 19.14 3.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.929 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt 52.91 35.11 18.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 40.0 mt -102.37 -36.79 8.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.513 HG21 HD13 ' A' ' 29' ' ' ILE . 17.5 pt -140.02 -175.15 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.117 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.9 pttm -160.63 158.59 29.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.564 ' HB2' ' OE2' ' A' ' 61' ' ' GLU . . . -93.15 125.35 37.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.064 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 53.3 t -125.94 96.44 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.071 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 30.5 tttt -83.61 97.57 9.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.1 t -79.47 162.03 25.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 13.0 p -40.83 129.88 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.142 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -174.41 159.74 3.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.078 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -97.73 -42.82 7.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.052 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.1 m -76.93 170.05 17.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.16 111.97 23.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt -139.21 173.48 11.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 25.4 tptt -149.18 110.46 4.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 10.3 t -95.2 150.05 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.115 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.495 ' HB3' HD12 ' A' ' 66' ' ' ILE . 97.9 m-85 -132.59 132.69 42.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 12.4 ptp -145.49 162.24 37.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.418 HD12 HD22 ' A' ' 85' ' ' LEU . 11.9 mt -45.36 143.48 1.76 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -77.8 -32.71 52.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -67.97 -38.41 82.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.418 HD22 HD12 ' A' ' 82' ' ' LEU . 9.9 mp -62.43 162.79 9.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.7 m -90.93 151.06 21.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -88.49 -158.43 33.67 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.514 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 92.3 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.655 2.237 . . . . 0.0 112.346 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.3 t 59.78 38.21 21.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 22.9 t -135.36 147.94 49.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 -179.969 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.7 p -92.27 -59.81 2.0 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.856 0.36 . . . . 0.0 110.868 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.5 p -66.51 138.59 57.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.19 44.66 17.33 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.451 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.9 p -44.52 131.73 6.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.9 0.381 . . . . 0.0 110.832 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -111.86 168.85 9.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.93 -162.27 35.46 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.462 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -170.1 166.72 9.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.81 0.338 . . . . 0.0 110.85 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.3 p -90.36 163.92 14.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -58.49 158.94 6.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.913 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -124.14 42.57 3.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.23 -43.14 21.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.22 89.04 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.489 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -104.8 118.68 37.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.76 0.314 . . . . 0.0 110.868 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.6 tpt -102.3 155.03 18.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.839 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.0 tttp -51.59 -64.5 0.79 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.77 -64.36 1.49 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.504 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 63.7 m -39.5 -62.67 0.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.888 0.375 . . . . 0.0 110.874 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -99.89 167.01 10.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.854 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.439 ' O ' ' CB ' ' A' ' 24' ' ' LEU . 2.2 m-20 -131.36 44.43 2.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.856 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.422 ' O ' HG23 ' A' ' 25' ' ' VAL . 5.7 mp0 -93.33 -49.04 6.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -70.6 -22.79 62.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.55 -37.73 12.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.439 ' CB ' ' O ' ' A' ' 20' ' ' ASN . 27.9 tp -62.1 -34.05 75.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.889 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.657 HG22 ' CB ' ' A' ' 46' ' ' SER . 95.3 t -76.32 -43.96 36.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.136 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.552 ' CE1' ' HB3' ' A' ' 65' ' ' LEU . 59.3 t80 -58.41 -26.51 63.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.882 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -80.45 -29.8 37.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.928 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 28.6 mt -75.44 -34.48 30.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.491 HD13 HD13 ' A' ' 66' ' ' ILE . 53.5 mt -64.06 -55.2 23.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.146 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.478 ' HB2' HD11 ' A' ' 82' ' ' LEU . 10.2 pt-20 -57.31 -36.04 70.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -56.06 -39.06 71.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.771 ' HB1' ' O ' ' A' ' 36' ' ' GLY . . . -53.34 -38.89 63.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.1 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.83 -174.43 34.46 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.467 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -45.5 -44.42 12.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.85 0.357 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.4 mmmt -48.44 -43.1 34.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.771 ' O ' ' HB1' ' A' ' 32' ' ' ALA . . . 99.58 -165.26 20.16 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.43 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.59 HD13 HG22 ' A' ' 42' ' ' VAL . 15.2 tt -148.95 155.38 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.767 0.318 . . . . 0.0 111.15 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.412 ' N ' HG12 ' A' ' 37' ' ' ILE . 10.1 t90 -88.62 137.03 32.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.956 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.7 p -39.51 -47.51 1.88 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 42' ' ' VAL . 23.7 mtm180 -64.84 -55.86 16.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -38.08 -29.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.59 HG22 HD13 ' A' ' 37' ' ' ILE . 93.4 t -74.48 -53.43 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.175 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 42' ' ' VAL . 22.9 mtp180 -34.38 -48.72 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -65.14 -58.45 5.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.1 mmtp -53.16 -61.14 2.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.881 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.657 ' CB ' HG22 ' A' ' 25' ' ' VAL . 71.3 p -66.21 -4.95 8.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.838 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 47.5 t30 45.4 33.85 1.39 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.2 mt -116.62 156.57 47.52 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.634 0.731 . . . . 0.0 110.933 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 155.01 66.99 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.624 2.216 . . . . 0.0 112.323 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.528 HD13 ' C ' ' A' ' 50' ' ' LEU . 3.2 tm? -47.87 -48.08 31.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.966 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.7 t -55.08 -24.1 23.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.176 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.643 ' O ' HD12 ' A' ' 56' ' ' ILE . 6.4 mm-40 -87.96 -42.31 12.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.502 HG22 HD12 ' A' ' 57' ' ' LEU . 1.7 mp -66.5 -33.32 62.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.167 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -66.72 -54.01 27.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.454 ' HG3' ' N ' ' A' ' 56' ' ' ILE . 17.3 ptpt -62.77 -41.32 99.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.643 HD12 ' O ' ' A' ' 52' ' ' GLU . 23.6 mt -67.28 -57.3 10.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.725 ' O ' HD11 ' A' ' 66' ' ' ILE . 41.4 mt -47.74 -44.55 28.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 59' ' ' ASN . 21.4 mtpp -73.14 -62.1 1.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 58' ' ' LYS . 26.7 m-20 -34.99 -48.95 0.43 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 67.3 mt -60.47 -47.18 87.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.937 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.537 ' OE2' ' HB2' ' A' ' 68' ' ' ALA . 50.7 mt-10 -52.48 -20.26 2.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.2 t -88.24 -32.66 18.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.816 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.7 mttp -82.52 18.4 1.51 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 50.6 mmtt 54.03 37.95 27.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.906 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.552 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 82.7 mt -104.18 -31.76 9.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.725 HD11 ' O ' ' A' ' 57' ' ' LEU . 13.8 pt -148.09 177.41 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.109 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.5 pttt -150.97 162.2 41.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.537 ' HB2' ' OE2' ' A' ' 61' ' ' GLU . . . -101.26 120.1 39.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.124 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 87.3 t -113.45 145.32 19.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.162 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.458 ' HG3' ' N ' ' A' ' 71' ' ' SER . 0.1 OUTLIER -91.44 150.74 21.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.458 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 54.8 p -107.91 144.02 35.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.406 ' O ' ' C ' ' A' ' 73' ' ' ALA . 7.4 p -54.81 -38.11 43.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.109 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 72' ' ' VAL . . . -36.84 -66.5 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -164.62 174.63 10.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.099 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.407 ' HA ' ' NZ ' ' A' ' 70' ' ' LYS . 99.3 p -104.37 48.69 0.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -124.9 -14.38 6.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.43 ' HD3' ' N ' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -104.33 174.79 5.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.893 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.25 121.13 11.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 41.3 t -108.73 140.34 27.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.611 ' CE2' HD13 ' A' ' 57' ' ' LEU . 98.8 m-85 -124.25 131.57 53.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 21.1 ptp -142.17 177.02 8.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.832 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.556 HD13 HD13 ' A' ' 85' ' ' LEU . 12.3 mt -57.29 141.91 45.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -67.94 -45.81 73.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 41.5 t-20 -61.14 -40.08 92.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.556 HD13 HD13 ' A' ' 82' ' ' LEU . 9.8 mp -64.42 155.3 33.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.958 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 53.0 p -110.07 136.49 49.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -98.65 -175.67 32.45 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.511 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -1.06 7.84 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.678 2.252 . . . . 0.0 112.335 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 90' ' ' SER . 47.9 p -49.25 139.98 10.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 89' ' ' SER . 3.2 m -36.58 119.28 0.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 -179.816 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.482 179.997 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 m -165.81 133.88 3.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.88 0.371 . . . . 0.0 110.862 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.6 t -171.55 114.94 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.809 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.56 148.07 7.97 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.507 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.4 m -153.86 161.35 42.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.932 0.396 . . . . 0.0 110.845 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -135.87 116.78 14.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.829 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.98 159.56 29.04 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.513 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -52.35 156.04 1.86 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.816 0.341 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.1 p -95.36 -51.5 4.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 54.0 mm-40 -143.68 115.34 8.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.918 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -97.1 118.05 32.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -94.71 -43.82 8.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.072 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 49.36 50.57 29.08 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -74.43 153.2 39.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.79 0.329 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.4 tmm? -116.41 42.57 2.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.0 tttm -122.95 153.59 39.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 83.56 -138.89 18.25 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 42.1 p -44.69 166.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.88 0.371 . . . . 0.0 110.842 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 59.28 47.65 11.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.827 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -86.82 46.65 1.39 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.548 ' HG2' HD21 ' A' ' 48' ' ' LEU . 60.0 mt-30 -101.05 -48.19 4.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.488 ' OE2' HG23 ' A' ' 56' ' ' ILE . 10.2 tp10 -65.6 -20.65 66.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.4 pttt -83.44 -35.61 24.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.8 tp -70.56 -36.26 73.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.701 HG13 ' CG1' ' A' ' 42' ' ' VAL . 28.8 t -74.83 -45.84 42.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.46 ' CE1' ' HB3' ' A' ' 65' ' ' LEU . 61.6 t80 -58.02 -28.39 64.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.936 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -79.23 -43.77 23.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.907 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.456 HG21 ' HB2' ' A' ' 45' ' ' LYS . 33.6 mt -64.04 -30.86 51.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.114 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.487 HD11 HG12 ' A' ' 25' ' ' VAL . 54.3 mt -71.52 -52.85 23.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.125 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -58.89 -25.92 63.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -68.36 -33.83 74.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.737 ' HB1' ' O ' ' A' ' 36' ' ' GLY . . . -58.36 -31.15 67.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.13 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 82.86 -165.08 43.42 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.482 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.451 ' HA ' HD23 ' A' ' 85' ' ' LEU . 4.8 p-10 -53.76 -43.98 69.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.843 0.354 . . . . 0.0 110.881 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 68.5 mttt -47.93 -35.93 11.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.737 ' O ' ' HB1' ' A' ' 32' ' ' ALA . . . 92.05 -173.08 35.85 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.467 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.555 ' HB ' ' HB2' ' A' ' 32' ' ' ALA . 13.1 tt -143.18 151.53 17.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.788 0.328 . . . . 0.0 111.144 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.567 ' CH2' ' HD2' ' A' ' 40' ' ' ARG . 7.7 t90 -84.64 136.75 33.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 55.6 p -40.34 -44.16 1.89 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.858 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.567 ' HD2' ' CH2' ' A' ' 38' ' ' TRP . 24.5 mtt180 -64.26 -52.98 56.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.65 -21.74 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.701 ' CG1' HG13 ' A' ' 25' ' ' VAL . 85.1 t -80.91 -38.11 16.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 47' ' ' ASN . 37.1 mtm180 -54.21 -53.11 58.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -61.85 -66.03 0.6 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.96 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.456 ' HB2' HG21 ' A' ' 28' ' ' ILE . 20.7 mmtm -45.45 -50.86 12.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.887 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.8 m -75.0 -16.61 60.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.408 ' N ' ' O ' ' A' ' 43' ' ' ARG . 4.7 m120 56.81 26.5 11.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.877 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.548 HD21 ' HG2' ' A' ' 21' ' ' GLN . 31.0 mt -108.53 157.22 37.16 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.602 0.715 . . . . 0.0 110.91 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 154.68 67.25 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.671 2.248 . . . . 0.0 112.347 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.726 ' O ' HD13 ' A' ' 50' ' ' LEU . 2.0 tm? -47.65 -46.75 29.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.1 t -54.1 -26.24 26.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.101 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.405 ' O ' HD12 ' A' ' 56' ' ' ILE . 35.7 mm-40 -86.08 -45.24 11.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.919 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.402 HD12 ' N ' ' A' ' 53' ' ' ILE . 1.7 mp -63.73 -31.76 54.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.155 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.654 ' ND2' HD11 ' A' ' 50' ' ' LEU . 15.5 m-20 -71.27 -51.39 24.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -66.33 -39.54 89.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.666 HD13 HG21 ' A' ' 25' ' ' VAL . 47.4 mt -68.32 -56.7 11.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.702 ' O ' HD11 ' A' ' 66' ' ' ILE . 35.5 mt -47.7 -36.1 10.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 59' ' ' ASN . 7.8 ttpp -76.07 -62.74 1.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.948 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 58' ' ' LYS . 15.7 m-80 -35.08 -55.21 0.6 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.535 ' CD2' HD12 ' A' ' 65' ' ' LEU . 83.6 mt -54.0 -49.21 69.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.638 ' OE2' ' HB2' ' A' ' 68' ' ' ALA . 46.3 mt-10 -52.27 -27.36 14.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 t -90.57 -28.9 18.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.8 mtpp -85.93 22.12 1.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.481 ' HG2' ' CE2' ' A' ' 83' ' ' TYR . 32.0 mtpt 50.22 42.7 25.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.535 HD12 ' CD2' ' A' ' 60' ' ' LEU . 76.0 mt -112.25 -28.19 8.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.702 HD11 ' O ' ' A' ' 57' ' ' LEU . 18.8 pt -151.48 -175.02 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.6 158.28 33.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.638 ' HB2' ' OE2' ' A' ' 61' ' ' GLU . . . -96.28 122.12 38.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 63.7 t -125.09 138.01 55.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt -106.4 113.24 26.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.953 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 52.8 p -70.2 149.97 46.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.859 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.569 ' O ' HG13 ' A' ' 72' ' ' VAL . 11.2 p -59.21 114.1 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.133 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -172.98 175.03 3.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.09 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -89.77 -60.15 2.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.061 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 95.9 p -53.51 171.99 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 17.7 mmtp -96.56 135.11 38.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 30.4 mtmt -152.44 -179.61 7.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.935 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.8 tptt -156.62 112.3 2.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.845 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.418 HG12 ' N ' ' A' ' 80' ' ' TYR . 14.6 t -103.7 156.4 5.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.178 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.546 ' CE2' HD13 ' A' ' 57' ' ' LEU . 97.4 m-85 -134.67 146.52 49.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 7.5 ptp -159.38 175.69 13.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.6 mt -54.89 132.58 46.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.481 ' CE2' ' HG2' ' A' ' 64' ' ' LYS . 23.2 t80 -56.69 -39.68 74.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -63.26 -40.08 96.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 34' ' ' ASN . 9.9 mp -66.54 108.48 2.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 74.9 m -71.04 -62.39 1.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.823 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 59.99 -158.25 25.51 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.502 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 138.77 38.63 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.658 2.239 . . . . 0.0 112.377 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.2 t -132.57 145.81 51.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.879 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 41.6 t -165.64 125.21 1.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.471 -179.963 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.6 p -117.76 114.51 23.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.941 0.4 . . . . 0.0 110.813 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -82.26 44.7 0.88 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.819 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.15 98.63 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.49 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.7 t -98.21 115.56 28.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.893 0.378 . . . . 0.0 110.838 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 t -88.38 120.9 30.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.87 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.56 100.46 0.15 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.502 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -126.04 41.69 3.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.822 0.344 . . . . 0.0 110.85 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.8 p -167.94 153.71 7.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -89.91 115.06 26.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -114.23 151.95 32.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -106.64 -42.4 4.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.078 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.31 80.82 1.27 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.466 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -106.58 157.65 17.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.764 0.316 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.46 132.81 55.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.857 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -89.57 178.3 6.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 77.49 -110.14 2.96 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.525 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.451 ' CB ' ' HB2' ' A' ' 21' ' ' GLN . 8.7 p -59.35 -176.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.877 0.37 . . . . 0.0 110.85 -179.739 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -115.09 -61.95 1.67 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -121.55 33.04 5.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.648 ' O ' HG23 ' A' ' 25' ' ' VAL . 66.2 mt-30 -97.01 -47.19 5.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -68.71 -14.23 62.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 24' ' ' LEU . 21.0 pttt -88.64 -36.08 16.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.431 ' N ' ' HG3' ' A' ' 23' ' ' LYS . 51.8 tp -73.37 -32.36 64.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.767 HG21 HG21 ' A' ' 56' ' ' ILE . 36.3 t -74.07 -40.46 51.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.155 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.432 ' CE1' ' HB3' ' A' ' 65' ' ' LEU . 31.3 t80 -63.69 -27.57 69.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -77.07 -44.98 28.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.927 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.645 HG21 ' CB ' ' A' ' 45' ' ' LYS . 22.0 mt -61.03 -36.36 71.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.089 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.761 HG23 ' O ' ' A' ' 80' ' ' TYR . 52.5 mt -65.04 -57.48 10.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -55.07 -28.09 49.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -64.69 -38.9 92.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.522 ' HB1' ' O ' ' A' ' 36' ' ' GLY . . . -53.18 -40.13 64.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.1 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.49 -172.52 37.76 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.539 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -46.04 -36.61 5.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.915 0.388 . . . . 0.0 110.874 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -56.46 -37.38 70.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.522 ' O ' ' HB1' ' A' ' 32' ' ' ALA . . . 89.45 179.1 45.25 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.486 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.502 ' O ' HG13 ' A' ' 79' ' ' VAL . 19.0 tt -132.2 157.84 43.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.827 0.346 . . . . 0.0 111.113 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.521 ' CZ3' ' HD2' ' A' ' 40' ' ' ARG . 3.6 t90 -91.52 132.73 36.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.488 ' HA ' HD11 ' A' ' 57' ' ' LEU . 78.2 p -34.55 -58.24 0.49 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.521 ' HD2' ' CZ3' ' A' ' 38' ' ' TRP . 77.5 mtt-85 -52.04 -58.15 7.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 40' ' ' ARG . 4.9 t0 -34.56 -37.75 0.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.474 HG21 HD21 ' A' ' 57' ' ' LEU . 93.6 t -63.13 -48.01 89.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.48 ' N ' ' O ' ' A' ' 40' ' ' ARG . 27.1 mtp180 -42.48 -42.98 3.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -76.35 -58.1 3.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.645 ' CB ' HG21 ' A' ' 28' ' ' ILE . 14.0 mmmm -50.02 -61.22 2.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.467 ' N ' HD13 ' A' ' 28' ' ' ILE . 41.9 m -66.39 -22.36 66.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.887 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 67.16 26.49 8.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 31.1 mt -110.91 156.95 39.94 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.594 0.711 . . . . 0.0 110.943 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 153.67 68.78 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.749 2.299 . . . . 0.0 112.308 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.745 ' O ' HD13 ' A' ' 50' ' ' LEU . 1.1 tm? -46.28 -49.19 17.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.6 t -50.26 -28.43 7.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.166 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -86.28 -45.79 10.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.403 HD12 ' N ' ' A' ' 53' ' ' ILE . 1.8 mp -61.63 -33.66 58.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.104 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.526 ' ND2' HD11 ' A' ' 50' ' ' LEU . 9.5 m-20 -67.93 -53.13 28.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.472 ' HG3' ' N ' ' A' ' 56' ' ' ILE . 7.3 ptpp? -68.68 -34.22 75.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.767 HG21 HG21 ' A' ' 25' ' ' VAL . 57.6 mt -71.99 -50.17 39.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.117 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.915 HD13 ' CE2' ' A' ' 80' ' ' TYR . 16.3 mt -53.83 -40.93 66.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.947 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 59' ' ' ASN . 1.0 OUTLIER -69.45 -59.87 2.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.946 179.808 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 58' ' ' LYS . 27.1 m-20 -35.13 -59.02 0.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.445 ' CB ' HG12 ' A' ' 66' ' ' ILE . 90.2 mt -51.17 -48.11 61.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.474 ' OE2' ' N ' ' A' ' 68' ' ' ALA . 30.7 mt-10 -57.0 -15.47 5.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t -98.83 -32.22 11.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -78.36 9.48 3.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt 62.98 41.56 8.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.432 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 73.2 mt -112.64 -35.05 5.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.697 HD12 ' HB3' ' A' ' 80' ' ' TYR . 23.4 pt -140.15 176.62 5.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.45 ' HE3' ' CG2' ' A' ' 69' ' ' VAL . 46.5 pttt -153.18 165.15 36.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.474 ' N ' ' OE2' ' A' ' 61' ' ' GLU . . . -94.21 120.56 34.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.072 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.45 ' CG2' ' HE3' ' A' ' 67' ' ' LYS . 77.7 t -126.83 153.18 35.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.114 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.414 ' N ' HG12 ' A' ' 69' ' ' VAL . 10.0 mtpm? -113.71 151.66 31.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.926 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -108.32 167.17 10.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.866 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.447 ' O ' ' C ' ' A' ' 73' ' ' ALA . 7.7 p -67.85 -39.05 81.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.135 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 72' ' ' VAL . . . -33.58 -63.73 0.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.09 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.441 ' C ' ' HE2' ' A' ' 77' ' ' LYS . . . -146.71 -176.98 5.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.067 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 77' ' ' LYS . 10.3 m -109.52 -52.55 2.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.709 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.4 tppt? -62.11 74.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.933 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 75' ' ' SER . 15.1 mtmt -158.38 -175.3 5.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -157.77 119.7 3.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.502 HG13 ' O ' ' A' ' 37' ' ' ILE . 39.8 t -121.42 134.39 64.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.915 ' CE2' HD13 ' A' ' 57' ' ' LEU . 92.2 m-85 -115.09 113.75 24.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.925 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 16.6 ptp -127.62 172.79 10.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.461 ' HB2' ' CD1' ' A' ' 85' ' ' LEU . 15.8 mt -49.37 136.51 15.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -75.64 -30.9 59.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -65.36 -40.16 93.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.936 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.461 ' CD1' ' HB2' ' A' ' 82' ' ' LEU . 95.5 mt -51.91 121.87 7.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 19.0 m -42.2 -56.63 2.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 72.79 -158.83 53.34 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.451 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 116.11 4.41 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.719 2.279 . . . . 0.0 112.294 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 55.3 p -153.56 124.85 7.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 31.4 t -81.87 115.63 21.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.881 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.466 -179.977 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.7 p -143.44 161.07 39.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.912 0.387 . . . . 0.0 110.891 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.3 t -158.85 127.88 5.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.818 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.05 144.69 11.15 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.484 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.6 m -120.43 127.98 52.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.84 0.352 . . . . 0.0 110.913 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -92.9 -51.12 5.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.26 127.97 1.01 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -97.71 -52.29 3.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.826 0.346 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.9 m 55.36 42.23 30.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 11.3 tp60 -54.03 140.76 30.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.959 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -78.2 165.74 23.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -87.7 -44.02 11.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.069 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -93.57 85.4 1.09 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.472 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.3 pttt -115.64 125.59 53.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.753 0.311 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 7.5 ttp -79.82 177.84 8.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -86.8 125.6 34.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.826 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 143.95 110.62 0.74 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.51 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.0 m -57.04 -59.61 4.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.871 0.367 . . . . 0.0 110.847 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -67.98 -176.15 0.66 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.835 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.463 ' CB ' ' HD3' ' A' ' 23' ' ' LYS . 5.2 p30 -128.56 51.81 1.97 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.664 ' O ' HG23 ' A' ' 25' ' ' VAL . 2.0 mp0 -99.59 -52.89 3.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -66.46 -25.41 66.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.479 ' HG3' ' N ' ' A' ' 24' ' ' LEU . 16.6 ptmt -83.6 -44.65 14.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.479 ' N ' ' HG3' ' A' ' 23' ' ' LYS . 16.4 tp -60.36 -33.04 71.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 21' ' ' GLN . 57.3 t -76.05 -36.37 31.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.455 ' HA ' HD12 ' A' ' 29' ' ' ILE . 49.6 t80 -68.01 -33.01 73.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -72.84 -22.43 60.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 43.7 mt -84.04 -27.79 7.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.168 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.545 HD13 HD13 ' A' ' 66' ' ' ILE . 45.8 mt -73.73 -50.44 29.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.106 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -61.53 -24.45 66.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -72.3 -35.82 68.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.851 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.645 ' HB1' ' O ' ' A' ' 36' ' ' GLY . . . -53.21 -39.04 63.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.112 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.49 -171.31 41.62 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.475 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -49.65 -32.78 13.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.869 0.366 . . . . 0.0 110.893 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 66.7 mttt -56.06 -39.89 72.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.645 ' O ' ' HB1' ' A' ' 32' ' ' ALA . . . 94.88 -174.6 33.1 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.49 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.558 HD13 HG22 ' A' ' 42' ' ' VAL . 14.4 tt -147.26 140.99 19.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.792 0.33 . . . . 0.0 111.173 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.587 ' CZ3' ' HD3' ' A' ' 40' ' ' ARG . 0.9 OUTLIER -82.64 130.18 35.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.635 ' HA ' HD11 ' A' ' 57' ' ' LEU . 2.5 t -34.29 -42.16 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.826 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.587 ' HD3' ' CZ3' ' A' ' 38' ' ' TRP . 33.5 mtp180 -63.47 -55.05 27.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -40.41 -32.69 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.628 HG11 HG13 ' A' ' 25' ' ' VAL . 30.6 t -71.02 -54.84 16.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.142 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 42' ' ' VAL . 20.4 mtp180 -34.36 -43.54 0.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.836 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.41 ' CE2' ' O ' ' A' ' 40' ' ' ARG . 2.0 m-85 -73.72 -53.83 9.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.95 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.7 mmtm -57.66 -60.9 2.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.895 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.51 ' CB ' HG22 ' A' ' 25' ' ' VAL . 76.4 p -65.86 -16.02 63.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.787 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 52.4 m-80 57.89 25.62 12.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.441 ' HB2' HD11 ' A' ' 53' ' ' ILE . 26.9 mt -105.29 157.94 33.28 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.605 0.717 . . . . 0.0 110.939 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 154.39 67.51 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.678 2.252 . . . . 0.0 112.348 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.569 HD13 ' C ' ' A' ' 50' ' ' LEU . 3.4 tm? -47.25 -45.23 23.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.9 t -58.68 -26.25 63.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.165 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.586 ' O ' HD12 ' A' ' 56' ' ' ILE . 31.0 mm-40 -85.25 -41.34 15.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.441 HD11 ' HB2' ' A' ' 48' ' ' LEU . 1.7 mp -67.43 -29.99 47.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.172 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -73.07 -53.12 11.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.454 ' HG3' ' N ' ' A' ' 56' ' ' ILE . 22.2 pttt -65.32 -33.93 77.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.586 HD12 ' O ' ' A' ' 52' ' ' GLU . 50.0 mt -73.6 -53.57 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.13 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.828 HD13 ' CE1' ' A' ' 80' ' ' TYR . 16.9 mt -53.8 -28.73 36.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.6 ttpt -85.22 -57.6 3.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 55' ' ' LYS . 2.0 m-80 -38.9 -49.14 1.65 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.841 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 40.8 mt -58.48 -46.91 85.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.683 ' OE2' ' HB2' ' A' ' 68' ' ' ALA . 11.3 mt-10 -54.83 -17.43 3.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 t -89.34 -29.54 19.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.84 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.3 mttm -84.72 7.54 20.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 53.2 mmtt 65.29 29.03 11.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 50.0 mt -93.53 -37.58 11.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.967 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.545 HD13 HD13 ' A' ' 29' ' ' ILE . 44.8 pt -140.35 -176.44 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.149 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 36.9 pttt -153.97 161.44 41.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.683 ' HB2' ' OE2' ' A' ' 61' ' ' GLU . . . -97.12 130.22 44.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.108 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 80.3 t -126.93 152.07 34.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.14 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.3 mmtm -115.05 148.59 38.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.2 t -112.95 161.8 16.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.412 HG13 ' N ' ' A' ' 73' ' ' ALA . 4.7 p -39.76 -43.2 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.081 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.412 ' N ' HG13 ' A' ' 72' ' ' VAL . . . -43.71 168.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.101 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -44.95 170.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.068 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 73.2 m -82.75 -1.54 51.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.2 mmtm -84.93 70.83 10.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.402 ' CB ' ' HE1' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -171.49 169.49 6.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.887 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.9 tppt? -153.65 106.61 2.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.929 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 6.8 t -103.83 143.19 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.191 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.828 ' CE1' HD13 ' A' ' 57' ' ' LEU . 89.2 m-85 -124.92 143.13 51.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 9.9 ptp -154.2 162.05 41.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.406 ' HB2' ' CD1' ' A' ' 85' ' ' LEU . 10.3 mt -44.1 139.04 2.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -74.24 -32.14 62.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.951 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -67.39 -40.15 85.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.406 ' CD1' ' HB2' ' A' ' 82' ' ' LEU . 79.8 mt -53.26 139.08 30.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 87.8 p -95.91 94.82 7.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -101.41 -174.37 28.55 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.461 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 154.07 68.2 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.653 2.235 . . . . 0.0 112.362 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 66.7 p -144.56 131.37 20.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.885 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 57.8 m -149.79 149.52 30.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.479 -179.95 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.557 ' O ' HG23 ' A' ' 25' ' ' VAL . 5.1 mp0 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.748 0.309 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.585 ' HG3' HG23 ' A' ' 56' ' ' ILE . 13.3 tt0 -72.21 -16.17 61.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.4 pttp -87.16 -33.97 19.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.905 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 47.5 tp -72.45 -35.73 68.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.634 HG22 ' CB ' ' A' ' 46' ' ' SER . 40.4 t -72.13 -50.28 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.57 ' CE1' ' HB3' ' A' ' 65' ' ' LEU . 57.0 t80 -53.13 -36.8 61.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -67.01 -35.72 80.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.639 HD13 ' CB ' ' A' ' 45' ' ' LYS . 49.0 mt -71.73 -29.15 33.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.141 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.533 HD13 HD13 ' A' ' 66' ' ' ILE . 84.3 mt -71.6 -47.07 59.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.132 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 31' ' ' ASP . 3.4 pt-20 -63.53 -29.46 70.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.917 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.433 ' N ' ' HG3' ' A' ' 30' ' ' GLU . 4.4 t0 -65.33 -36.79 85.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.648 ' HB1' ' O ' ' A' ' 36' ' ' GLY . . . -54.68 -38.98 67.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.113 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.65 -167.31 36.77 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.49 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -49.0 -45.23 42.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.917 0.389 . . . . 0.0 110.892 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 27.5 mttp -47.68 -39.87 18.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.648 ' O ' ' HB1' ' A' ' 32' ' ' ALA . . . 92.57 -171.2 33.16 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.48 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.582 HD13 HG22 ' A' ' 42' ' ' VAL . 15.4 tt -145.93 153.63 13.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.785 0.326 . . . . 0.0 111.134 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.56 ' CE3' ' HB2' ' A' ' 40' ' ' ARG . 2.2 t90 -89.31 135.91 33.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.426 ' HA ' HD11 ' A' ' 57' ' ' LEU . 4.6 t -41.73 -37.85 1.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.857 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.56 ' HB2' ' CE3' ' A' ' 38' ' ' TRP . 7.5 mpt_? -68.43 -60.45 2.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -38.73 -26.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.582 HG22 HD13 ' A' ' 37' ' ' ILE . 46.9 t -76.01 -52.95 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 42' ' ' VAL . 30.1 mtp180 -34.71 -45.02 0.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -70.34 -54.2 13.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.951 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.639 ' CB ' HD13 ' A' ' 28' ' ' ILE . 57.5 mmtt -58.06 -61.87 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.882 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.634 ' CB ' HG22 ' A' ' 25' ' ' VAL . 68.5 p -61.66 -10.5 8.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.833 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 51.4 t30 51.4 33.29 9.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.425 HD21 ' HG3' ' A' ' 21' ' ' GLN . 41.3 mt -119.1 155.48 53.24 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.635 0.731 . . . . 0.0 110.945 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.404 ' O ' HD13 ' A' ' 53' ' ' ILE . 54.2 Cg_endo -69.71 155.23 66.65 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.683 2.256 . . . . 0.0 112.388 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.432 HD13 ' C ' ' A' ' 50' ' ' LEU . 3.1 tm? -46.22 -51.15 14.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.4 t -51.92 -26.27 9.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.17 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.644 ' O ' HD12 ' A' ' 56' ' ' ILE . 33.5 mm-40 -86.91 -41.44 13.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.432 ' N ' HD12 ' A' ' 53' ' ' ILE . 1.7 mp -65.72 -31.88 55.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.174 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.428 HD21 HD21 ' A' ' 50' ' ' LEU . 1.1 m-80 -69.39 -52.72 24.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.928 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.481 ' HG3' ' N ' ' A' ' 56' ' ' ILE . 16.0 ptpt -65.73 -39.93 91.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.644 HD12 ' O ' ' A' ' 52' ' ' GLU . 23.0 mt -67.25 -55.63 16.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.161 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.525 HD13 ' CE1' ' A' ' 80' ' ' TYR . 28.5 mt -49.88 -40.07 41.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 59' ' ' ASN . 6.3 tptp -73.02 -59.89 2.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.888 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 58' ' ' LYS . 15.1 m-80 -35.02 -53.78 0.58 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 86.7 mt -53.96 -47.29 71.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.925 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.558 ' OE2' ' HB2' ' A' ' 68' ' ' ALA . 76.7 mt-10 -55.02 -15.79 2.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t -91.34 -27.43 18.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.5 mttm -87.5 14.02 9.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 53.4 mttt 57.41 30.56 18.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.57 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 35.0 mt -95.13 -40.35 9.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.533 HD13 HD13 ' A' ' 29' ' ' ILE . 31.7 pt -138.55 176.24 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.084 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.3 pttt -148.83 164.1 35.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.558 ' HB2' ' OE2' ' A' ' 61' ' ' GLU . . . -96.9 120.89 38.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.093 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 94.9 t . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.137 179.949 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 5.9 t . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.833 0.349 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.525 ' CE1' HD13 ' A' ' 57' ' ' LEU . 90.5 m-85 -124.42 122.83 38.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.983 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.407 ' O ' ' C ' ' A' ' 82' ' ' LEU . 12.6 ptp -135.93 157.17 47.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 81' ' ' MET . 25.0 mt -37.5 149.86 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -83.47 -25.01 31.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 34.0 m120 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.937 179.952 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.743 0.306 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -61.17 -17.12 51.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.458 ' HG2' ' N ' ' A' ' 24' ' ' LEU . 6.6 pttp -82.79 -34.45 27.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.458 ' N ' ' HG2' ' A' ' 23' ' ' LYS . 38.5 tp -76.6 -26.66 55.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.958 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.714 HG21 HD13 ' A' ' 56' ' ' ILE . 60.1 t -82.93 -32.41 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.163 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.418 ' CE1' ' HB3' ' A' ' 65' ' ' LEU . 37.6 t80 -70.88 -30.64 67.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.937 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -72.56 -24.43 61.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.972 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.599 HD12 ' HA ' ' A' ' 25' ' ' VAL . 29.9 mt -79.38 -42.56 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.089 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.564 HD13 HD13 ' A' ' 66' ' ' ILE . 42.7 mt -60.24 -42.2 89.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.136 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -68.95 -28.43 66.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -69.69 -33.69 72.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.695 ' HB1' ' O ' ' A' ' 36' ' ' GLY . . . -58.95 -36.83 75.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.096 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.74 -165.45 42.16 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.497 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -47.64 -49.83 26.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.895 0.379 . . . . 0.0 110.942 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.5 mtpp -47.3 -31.4 3.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.695 ' O ' ' HB1' ' A' ' 32' ' ' ALA . . . 80.4 -167.75 50.93 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.472 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.577 HD13 HG22 ' A' ' 42' ' ' VAL . 17.3 tt -146.88 147.96 17.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.826 0.346 . . . . 0.0 111.109 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.451 ' O ' ' C ' ' A' ' 39' ' ' SER . 3.6 t90 -79.76 127.27 32.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.945 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.513 ' HA ' HD11 ' A' ' 57' ' ' LEU . 0.7 OUTLIER -34.5 -38.79 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 -179.785 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.426 ' O ' ' CE1' ' A' ' 44' ' ' TYR . 44.2 mtp180 -73.03 -49.54 28.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.864 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 38' ' ' TRP . 1.9 m-20 -45.14 -22.92 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.625 HG11 HG13 ' A' ' 25' ' ' VAL . 96.2 t -79.51 -47.28 22.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.4 mtm180 -37.67 -39.84 0.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.426 ' CE1' ' O ' ' A' ' 40' ' ' ARG . 1.1 m-85 -74.93 -58.47 3.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.969 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.69 -58.97 5.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.861 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.415 ' CB ' HG22 ' A' ' 25' ' ' VAL . 64.6 p -63.89 -20.17 65.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 61.58 29.48 18.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.409 ' HB2' HD11 ' A' ' 53' ' ' ILE . 74.4 mt -114.63 154.06 46.72 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.66 0.743 . . . . 0.0 110.906 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 156.0 64.6 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.681 2.254 . . . . 0.0 112.405 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.662 HD13 ' O ' ' A' ' 50' ' ' LEU . 1.4 tm? -45.19 -51.87 10.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.933 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.8 t -50.97 -27.95 8.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.132 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.513 ' O ' HD12 ' A' ' 56' ' ' ILE . 48.5 mm-40 -85.57 -41.18 15.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.409 HD11 ' HB2' ' A' ' 48' ' ' LEU . 1.7 mp -67.81 -30.73 49.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.553 ' ND2' HD11 ' A' ' 50' ' ' LEU . 12.3 m-20 -71.66 -49.36 40.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -69.46 -37.37 77.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.714 HD13 HG21 ' A' ' 25' ' ' VAL . 49.1 mt -70.1 -52.98 25.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.145 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.799 HD13 ' CE2' ' A' ' 80' ' ' TYR . 15.4 mt -51.56 -44.82 62.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 61' ' ' GLU . 0.4 OUTLIER -68.52 -60.88 2.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 179.845 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 58' ' ' LYS . 27.7 m-20 -35.1 -47.9 0.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 84.7 mt -59.28 -46.4 88.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.959 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 58' ' ' LYS . 26.6 mt-10 -55.84 -14.67 2.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 t -93.71 -26.2 17.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.6 mttm -90.2 15.9 9.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.878 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 52.8 mttt 54.73 33.22 19.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.418 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 39.4 mt -97.98 -41.28 8.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.564 HD13 HD13 ' A' ' 29' ' ' ILE . 19.1 pt -135.72 178.2 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.162 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 36.2 pttt -155.36 162.93 40.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -95.55 128.12 42.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.102 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 75.8 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.133 179.997 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 24.1 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.833 0.349 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.799 ' CE2' HD13 ' A' ' 57' ' ' LEU . 78.8 m-85 -111.36 127.88 55.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 15.0 ptp -139.0 -178.75 5.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.887 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 16.6 mt -61.48 138.0 58.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.921 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -72.44 -17.92 61.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.931 179.973 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.664 ' O ' HG23 ' A' ' 25' ' ' VAL . 87.0 mt-30 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.797 0.332 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -70.46 -22.11 62.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.854 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.1 mttm -82.02 -40.39 22.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 58.5 tp -66.01 -30.78 71.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 21' ' ' GLN . 38.4 t -80.07 -38.92 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.097 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -65.75 -28.13 68.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -75.5 -28.45 59.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.866 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.56 HD13 ' CB ' ' A' ' 45' ' ' LYS . 43.8 mt -76.24 -42.73 37.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.1 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.748 HG23 ' O ' ' A' ' 80' ' ' TYR . 72.7 mt -61.21 -47.29 94.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.474 ' C ' ' CD ' ' A' ' 30' ' ' GLU . 0.5 OUTLIER -61.56 -29.49 70.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -69.5 -34.65 74.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.841 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.71 ' HB1' ' O ' ' A' ' 36' ' ' GLY . . . -55.88 -32.76 63.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.106 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.73 -174.65 44.74 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.524 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.411 ' O ' ' HE2' ' A' ' 81' ' ' MET . 5.5 p30 -47.71 -36.47 11.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.849 0.357 . . . . 0.0 110.891 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 36.7 mttm -53.48 -41.44 66.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.71 ' O ' ' HB1' ' A' ' 32' ' ' ALA . . . 96.64 -169.83 26.2 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.495 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.485 HD13 HG22 ' A' ' 42' ' ' VAL . 14.8 tt -147.21 151.03 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.855 0.36 . . . . 0.0 111.104 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.583 ' CZ3' ' HD3' ' A' ' 40' ' ' ARG . 3.7 t90 -87.57 130.5 34.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.962 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.544 ' HA ' HD11 ' A' ' 57' ' ' LEU . 1.4 t -34.57 -39.01 0.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.852 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.583 ' HD3' ' CZ3' ' A' ' 38' ' ' TRP . 31.4 mtp180 -64.31 -65.11 0.72 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 40' ' ' ARG . 0.9 OUTLIER -36.75 -29.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.5 ' N ' ' O ' ' A' ' 40' ' ' ARG . 96.3 t -71.54 -54.58 16.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.133 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.441 HH22 ' NE ' ' A' ' 40' ' ' ARG . 41.6 mtm-85 -35.73 -44.75 0.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -70.95 -57.9 4.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.96 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.56 ' CB ' HD13 ' A' ' 28' ' ' ILE . 42.9 mmtt -54.0 -61.28 2.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.91 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.65 ' HB2' HG22 ' A' ' 25' ' ' VAL . 58.5 p -62.41 -15.6 50.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 59.5 t30 56.24 27.69 12.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.429 ' HB3' ' CB ' ' A' ' 52' ' ' GLU . 63.7 mt -111.01 156.13 41.37 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.633 0.73 . . . . 0.0 110.936 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 161.27 46.57 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.682 2.255 . . . . 0.0 112.372 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.628 HD13 ' C ' ' A' ' 50' ' ' LEU . 3.0 tm? -49.17 -51.07 34.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.901 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.5 t -54.45 -24.26 19.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.645 ' O ' HD12 ' A' ' 56' ' ' ILE . 37.0 mm-40 -86.48 -42.38 13.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.405 HD12 ' N ' ' A' ' 53' ' ' ILE . 1.7 mp -68.23 -32.26 55.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.169 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -70.92 -51.43 26.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.0 ptmm? -64.94 -43.26 93.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.645 HD12 ' O ' ' A' ' 52' ' ' GLU . 34.7 mt -65.32 -57.9 9.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.134 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.621 HD13 ' CE1' ' A' ' 80' ' ' TYR . 22.2 mt -46.43 -33.32 3.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 61' ' ' GLU . 29.7 tttt -77.72 -59.23 2.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.832 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 58' ' ' LYS . 1.7 m-80 -36.85 -51.5 0.9 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.909 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.439 ' CB ' HG12 ' A' ' 66' ' ' ILE . 66.2 mt -61.13 -37.64 83.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.966 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 58' ' ' LYS . 34.3 mt-10 -66.01 -20.92 66.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.7 t -96.08 -29.73 13.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.901 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.5 mtpp -83.47 18.59 1.8 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.889 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 26.5 mttp 54.96 31.78 16.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.894 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 47.0 mt -99.44 -31.59 11.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.598 HD11 ' O ' ' A' ' 57' ' ' LEU . 20.7 pt -147.08 -177.47 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.138 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.433 ' HE3' ' CG2' ' A' ' 69' ' ' VAL . 34.2 pttt -159.17 164.59 35.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.493 ' HB2' ' OE2' ' A' ' 61' ' ' GLU . . . -95.95 124.81 40.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.098 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.433 ' CG2' ' HE3' ' A' ' 67' ' ' LYS . 40.7 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.408 ' CG1' ' HA3' ' A' ' 36' ' ' GLY . 19.6 t . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.85 0.357 . . . . 0.0 111.112 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.748 ' O ' HG23 ' A' ' 29' ' ' ILE . 97.0 m-85 -117.62 116.24 26.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.926 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.411 ' HE2' ' O ' ' A' ' 34' ' ' ASN . 14.9 ptp -127.13 176.24 7.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.839 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 12.4 mt -56.6 142.53 39.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -77.59 -32.58 53.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.858 -179.984 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.776 0.322 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -56.77 -24.59 51.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 50.8 mttt -82.14 -52.22 7.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.432 HD21 ' O ' ' A' ' 46' ' ' SER . 39.3 tp -52.94 -36.42 59.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.54 HG13 HG11 ' A' ' 42' ' ' VAL . 91.4 t -74.42 -53.34 17.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.115 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.411 ' HA ' HD12 ' A' ' 29' ' ' ILE . 62.5 t80 -53.38 -35.5 60.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -68.75 -22.52 64.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.47 HD12 ' HA ' ' A' ' 25' ' ' VAL . 44.8 mt -86.3 -35.46 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.417 HD13 HD13 ' A' ' 66' ' ' ILE . 55.2 mt -64.2 -48.35 86.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.134 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.69 -26.73 68.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.902 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -67.61 -36.93 81.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.596 ' HB1' ' O ' ' A' ' 36' ' ' GLY . . . -53.86 -37.56 63.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.51 -159.56 23.25 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.482 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.03 -41.03 97.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.836 0.351 . . . . 0.0 110.837 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp -47.23 -49.65 22.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.596 ' O ' ' HB1' ' A' ' 32' ' ' ALA . . . 110.12 -171.52 14.93 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.438 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.0 tt -150.08 147.24 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.808 0.337 . . . . 0.0 111.111 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.513 ' CE3' ' HD2' ' A' ' 40' ' ' ARG . 4.9 t90 -87.09 134.29 33.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.573 ' HA ' HD11 ' A' ' 57' ' ' LEU . 57.6 p -38.69 -38.43 0.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.86 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.513 ' HD2' ' CE3' ' A' ' 38' ' ' TRP . 47.0 mtt-85 -65.44 -55.47 17.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -38.77 -33.76 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.54 HG11 HG13 ' A' ' 25' ' ' VAL . 43.4 t -67.94 -55.63 15.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 42' ' ' VAL . 18.5 mtp180 -34.11 -47.61 0.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -69.99 -60.97 1.97 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -54.07 -63.17 1.24 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.893 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.432 ' O ' HD21 ' A' ' 24' ' ' LEU . 77.7 p -57.58 -27.75 62.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 31.8 t-20 68.25 29.0 6.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.41 ' HB2' HD11 ' A' ' 53' ' ' ILE . 33.6 mt -115.21 157.43 43.73 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.627 0.727 . . . . 0.0 110.917 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 155.6 65.55 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.7 2.267 . . . . 0.0 112.338 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.671 HD13 ' O ' ' A' ' 50' ' ' LEU . 1.7 tm? -48.43 -45.85 36.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.945 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.4 t -56.55 -24.4 46.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.133 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.426 ' O ' HD12 ' A' ' 56' ' ' ILE . 40.1 mm-40 -87.98 -45.54 10.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.422 ' N ' HD12 ' A' ' 53' ' ' ILE . 1.8 mp -63.78 -35.03 71.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.126 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.572 ' ND2' HD11 ' A' ' 50' ' ' LEU . 15.0 m-20 -67.21 -52.67 38.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.449 ' HG3' ' N ' ' A' ' 56' ' ' ILE . 7.2 pttp -66.7 -34.75 78.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.449 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 48.5 mt -71.99 -54.23 17.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.092 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 1.098 HD13 ' CE2' ' A' ' 80' ' ' TYR . 17.8 mt -49.61 -45.05 47.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 59' ' ' ASN . 4.3 tptm -67.96 -59.12 3.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.966 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 58' ' ' LYS . 26.5 m-20 -35.25 -54.88 0.63 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.529 HD23 HD12 ' A' ' 65' ' ' LEU . 33.5 mt -54.35 -49.04 70.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.486 ' OE2' ' N ' ' A' ' 68' ' ' ALA . 36.3 mt-10 -52.38 -21.51 3.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.5 t -92.39 -26.71 17.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -85.79 14.18 6.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp 57.22 38.73 28.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.951 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.529 HD12 HD23 ' A' ' 60' ' ' LEU . 36.1 mt -108.41 -35.29 6.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.675 HD11 ' O ' ' A' ' 57' ' ' LEU . 19.1 pt -140.91 176.2 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.136 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 46.7 pttt -155.71 155.37 33.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.486 ' N ' ' OE2' ' A' ' 61' ' ' GLU . . . -85.59 132.68 34.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.051 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 53.9 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.088 179.998 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 25.3 t . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.826 0.346 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 1.098 ' CE2' HD13 ' A' ' 57' ' ' LEU . 94.5 m-85 -118.43 150.95 38.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.963 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 8.3 ptp -161.18 175.77 11.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.3 mt -59.52 139.15 57.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -73.75 -33.18 64.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.856 -179.949 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.521 ' O ' HG23 ' A' ' 25' ' ' VAL . 27.0 mt-30 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.77 0.319 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -66.72 -19.83 65.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.9 mtpp -82.5 -57.97 3.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 38.7 tp -47.6 -34.22 7.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.755 HG13 HG11 ' A' ' 42' ' ' VAL . 59.2 t -75.13 -42.51 44.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.146 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.453 ' CE1' ' HB3' ' A' ' 65' ' ' LEU . 60.8 t80 -62.68 -34.03 76.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -70.89 -25.17 62.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 22.8 mt -82.58 -28.78 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.133 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.491 HD11 HD23 ' A' ' 57' ' ' LEU . 91.6 mt -72.57 -47.41 51.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.115 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -65.34 -23.83 67.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -69.2 -37.41 78.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.841 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.446 ' HB1' ' O ' ' A' ' 36' ' ' GLY . . . -57.75 -36.82 72.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.083 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.36 -165.53 37.42 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.478 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -51.19 -42.27 60.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.916 0.389 . . . . 0.0 110.883 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.3 ptpt -51.24 -19.95 1.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.882 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.446 ' O ' ' HB1' ' A' ' 32' ' ' ALA . . . 71.47 -177.12 37.37 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.51 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.475 ' O ' HG13 ' A' ' 79' ' ' VAL . 13.5 tt -141.05 154.77 21.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.779 0.323 . . . . 0.0 111.154 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.444 ' O ' ' N ' ' A' ' 40' ' ' ARG . 6.2 t90 -89.06 125.78 35.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 38' ' ' TRP . 1.5 t -35.38 -34.56 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 38' ' ' TRP . 15.4 mtp85 -67.53 -58.61 4.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -38.35 -31.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.755 HG11 HG13 ' A' ' 25' ' ' VAL . 21.6 t -69.55 -53.9 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.477 ' CZ ' ' HB3' ' A' ' 43' ' ' ARG . 7.1 mtp-105 -34.7 -45.45 0.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -72.58 -55.18 7.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 57.3 mmtt -57.11 -62.9 1.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.875 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.605 ' CB ' HG22 ' A' ' 25' ' ' VAL . 78.8 p -62.38 -9.52 8.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.843 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 27.4 m-20 50.06 34.97 9.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.8 mt -118.3 156.53 50.71 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.655 0.74 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 156.73 62.47 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.687 2.258 . . . . 0.0 112.324 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.539 HD13 ' C ' ' A' ' 50' ' ' LEU . 3.5 tm? -48.16 -47.35 35.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.859 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.1 t -56.33 -23.86 39.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.177 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.641 ' O ' HD12 ' A' ' 56' ' ' ILE . 36.8 mm-40 -87.42 -39.63 15.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.435 ' N ' HD12 ' A' ' 53' ' ' ILE . 1.7 mp -70.55 -31.23 45.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.187 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -72.88 -47.86 42.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.881 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.89 -35.97 72.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.641 HD12 ' O ' ' A' ' 52' ' ' GLU . 44.3 mt -72.01 -54.07 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.128 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.75 HD13 ' CE1' ' A' ' 80' ' ' TYR . 21.3 mt -50.22 -41.99 50.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.479 ' O ' ' N ' ' A' ' 61' ' ' GLU . 30.9 tttp -66.78 -62.78 1.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 58' ' ' LYS . 2.3 m-80 -35.05 -49.61 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.898 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.565 HD23 HD12 ' A' ' 65' ' ' LEU . 48.4 mt -59.15 -43.97 92.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.652 ' OE2' ' HB2' ' A' ' 68' ' ' ALA . 17.3 mt-10 -61.86 -15.37 41.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.8 t -96.41 -26.64 15.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.1 mttm -85.92 5.17 34.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm 69.19 25.55 5.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.565 HD12 HD23 ' A' ' 60' ' ' LEU . 18.9 mt -92.27 -31.69 15.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.93 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.405 HD13 HD13 ' A' ' 29' ' ' ILE . 35.0 pt -148.2 -177.87 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.7 pttp -153.43 165.36 36.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.652 ' HB2' ' OE2' ' A' ' 61' ' ' GLU . . . -98.8 124.77 43.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 30.9 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.172 179.936 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.475 HG13 ' O ' ' A' ' 37' ' ' ILE . 5.7 t . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.811 0.338 . . . . 0.0 111.158 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.75 ' CE1' HD13 ' A' ' 57' ' ' LEU . 81.8 m-85 -124.34 146.47 48.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 10.9 ptp -158.61 172.65 17.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.833 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 29.9 mt -54.9 135.16 48.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -62.28 -40.55 96.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 66.3 m-20 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.993 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.471 ' O ' HG23 ' A' ' 25' ' ' VAL . 85.0 mt-30 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.769 0.318 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -54.38 -15.73 1.82 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.7 pttp -91.78 -38.43 12.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 66.5 tp -66.31 -34.82 78.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.964 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.644 HG21 HG21 ' A' ' 56' ' ' ILE . 12.9 t -71.5 -51.34 33.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.113 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.475 ' CE1' ' HB3' ' A' ' 65' ' ' LEU . 71.2 t80 -57.27 -40.1 77.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.962 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.481 ' O ' ' NE2' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -59.65 -28.47 67.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.895 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.551 HD13 ' CB ' ' A' ' 45' ' ' LYS . 25.2 mt -82.49 -42.7 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.547 HD13 HD13 ' A' ' 66' ' ' ILE . 57.7 mt -58.44 -43.4 86.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.148 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.57 -28.27 67.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -67.99 -37.7 81.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.651 ' HB1' ' O ' ' A' ' 36' ' ' GLY . . . -55.32 -38.4 68.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.63 -172.57 41.0 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -46.39 -41.55 13.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.955 0.407 . . . . 0.0 110.905 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.9 mtmp? -50.18 -35.62 27.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.651 ' O ' ' HB1' ' A' ' 32' ' ' ALA . . . 89.08 -170.67 37.94 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.475 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.65 HD13 HG22 ' A' ' 42' ' ' VAL . 15.4 tt -149.85 150.1 14.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.82 0.343 . . . . 0.0 111.161 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.515 ' CZ3' ' HD3' ' A' ' 40' ' ' ARG . 11.6 t90 -80.99 128.66 33.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.8 t -38.35 -40.61 0.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.515 ' HD3' ' CZ3' ' A' ' 38' ' ' TRP . 21.9 ttt180 -67.87 -53.41 26.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.861 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -45.04 -28.97 0.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.65 HG22 HD13 ' A' ' 37' ' ' ILE . 48.4 t -72.1 -51.31 31.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 42' ' ' VAL . 22.2 mtm180 -35.82 -47.69 0.52 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.87 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -68.83 -44.66 72.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.551 ' CB ' HD13 ' A' ' 28' ' ' ILE . 32.7 mmtm -59.33 -59.06 6.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.923 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.9 m -73.07 -19.17 61.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 65.3 t30 64.97 32.03 10.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.533 ' HB2' HD11 ' A' ' 53' ' ' ILE . 38.1 mt -111.4 157.19 39.79 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.647 0.737 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 155.21 66.51 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.674 2.249 . . . . 0.0 112.331 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.685 HD13 ' O ' ' A' ' 50' ' ' LEU . 1.2 tm? -47.69 -47.31 29.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.3 t -54.02 -25.55 21.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.446 ' O ' HD12 ' A' ' 56' ' ' ILE . 43.9 mm-40 -86.79 -46.99 9.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.533 HD11 ' HB2' ' A' ' 48' ' ' LEU . 1.6 mp -63.78 -29.73 48.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.073 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.519 ' ND2' HD11 ' A' ' 50' ' ' LEU . 9.1 m-20 -73.94 -50.18 21.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -68.49 -37.21 79.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.644 HG21 HG21 ' A' ' 25' ' ' VAL . 43.6 mt -70.92 -55.46 14.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.133 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.677 ' O ' HD11 ' A' ' 66' ' ' ILE . 23.5 mt -46.06 -36.89 6.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 61' ' ' GLU . 7.5 tmtm? -78.56 -59.62 2.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 58' ' ' LYS . 28.0 m-20 -35.17 -47.84 0.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 50.3 mt -60.8 -47.64 85.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 58' ' ' LYS . 26.5 mt-10 -49.56 -20.11 0.7 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t -89.22 -27.86 20.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.839 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 28.1 mttt -86.45 15.56 5.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.835 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.0 mttm 54.46 30.11 12.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.876 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.475 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 39.3 mt -96.36 -34.94 11.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.677 HD11 ' O ' ' A' ' 57' ' ' LEU . 16.6 pt -142.99 173.28 6.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.148 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 43.9 pttt -151.22 164.32 36.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -97.01 125.28 41.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.059 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 69.9 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 179.958 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 7.4 t . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.835 0.35 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.488 ' CE2' HD13 ' A' ' 57' ' ' LEU . 79.0 m-85 -122.19 125.47 46.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.971 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.437 ' O ' ' C ' ' A' ' 82' ' ' LEU . 13.3 ptp -139.63 153.01 47.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 81' ' ' MET . 10.6 mt -34.6 151.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -78.79 -42.88 26.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 56.6 m-20 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.977 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.568 ' O ' HG23 ' A' ' 25' ' ' VAL . 44.4 mt-30 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.751 0.31 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -73.37 -26.25 60.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 24' ' ' LEU . 14.1 ptmt -88.83 -41.67 12.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.56 HD21 ' O ' ' A' ' 46' ' ' SER . 54.8 tp -59.16 -24.3 62.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.93 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 21' ' ' GLN . 95.4 t -87.06 -50.12 14.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.15 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.466 ' CE1' ' HB3' ' A' ' 65' ' ' LEU . 89.4 t80 -56.56 -35.03 67.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 -65.1 -34.93 79.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.467 HD12 ' O ' ' A' ' 24' ' ' LEU . 22.7 mt -77.33 -35.45 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.11 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.501 HD13 HD13 ' A' ' 66' ' ' ILE . 94.8 mt -63.77 -48.68 85.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.185 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -63.04 -31.9 73.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -62.82 -39.56 94.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.631 ' HB1' ' O ' ' A' ' 36' ' ' GLY . . . -53.5 -35.09 60.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.064 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.49 -178.54 47.51 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.528 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.426 ' H ' ' ND2' ' A' ' 34' ' ' ASN . 0.7 OUTLIER -42.75 -37.27 1.7 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.922 0.391 . . . . 0.0 110.9 -179.894 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 45.5 mtmt -53.24 -41.17 65.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.631 ' O ' ' HB1' ' A' ' 32' ' ' ALA . . . 94.19 -173.01 32.56 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.519 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.422 ' HB ' ' HB2' ' A' ' 32' ' ' ALA . 14.0 tt -147.84 151.97 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.836 0.351 . . . . 0.0 111.072 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.556 ' CZ3' ' HD3' ' A' ' 40' ' ' ARG . 2.8 t90 -81.34 133.13 35.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.536 ' HA ' HD11 ' A' ' 57' ' ' LEU . 3.4 t -39.06 -45.08 1.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.556 ' HD3' ' CZ3' ' A' ' 38' ' ' TRP . 39.2 mtp180 -63.42 -59.84 4.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.873 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 40' ' ' ARG . 1.9 m-20 -34.81 -34.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.859 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.523 HG11 HG13 ' A' ' 25' ' ' VAL . 90.1 t -69.96 -52.82 27.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.139 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 42' ' ' VAL . 30.7 mtm180 -34.15 -46.76 0.26 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -70.45 -57.3 4.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.963 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.3 mmtm -51.51 -60.33 3.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.875 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.56 ' O ' HD21 ' A' ' 24' ' ' LEU . 1.8 m -63.58 -31.04 72.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.832 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 74.41 27.53 1.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.913 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 33.4 mt -111.38 157.73 38.23 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.568 0.699 . . . . 0.0 110.931 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 155.34 66.18 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.661 2.24 . . . . 0.0 112.366 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.728 HD13 ' O ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -48.93 -44.28 40.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.6 t -56.79 -24.55 51.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.176 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.657 ' O ' HD12 ' A' ' 56' ' ' ILE . 37.4 mm-40 -88.05 -42.8 12.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.402 HD12 ' N ' ' A' ' 53' ' ' ILE . 1.8 mp -67.04 -36.68 77.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.126 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.467 ' CG ' ' CD1' ' A' ' 50' ' ' LEU . 8.8 m-20 -65.56 -54.4 28.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.99 -43.54 98.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.657 HD12 ' O ' ' A' ' 52' ' ' GLU . 35.7 mt -64.45 -58.78 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.657 HD13 ' CE2' ' A' ' 80' ' ' TYR . 23.6 mt -43.5 -41.63 4.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 59' ' ' ASN . 0.8 OUTLIER -74.2 -61.81 1.73 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.847 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 58' ' ' LYS . 15.5 m-80 -35.11 -54.66 0.61 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 70.2 mt -51.55 -47.64 63.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.937 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.527 ' OE2' ' HB2' ' A' ' 68' ' ' ALA . 66.1 mt-10 -56.64 -18.33 11.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.81 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 t -89.22 -25.09 21.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.7 mttm -90.5 13.61 15.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 36.2 mmtp 59.75 30.26 19.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.466 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 36.1 mt -95.49 -37.02 11.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.501 HD13 HD13 ' A' ' 29' ' ' ILE . 36.8 pt -142.05 177.94 2.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.166 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 30.9 pttt -148.14 163.15 37.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.527 ' HB2' ' OE2' ' A' ' 61' ' ' GLU . . . -95.78 118.58 32.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 57.2 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.988 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 17.3 t . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.818 0.342 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.657 ' CE2' HD13 ' A' ' 57' ' ' LEU . 88.5 m-85 -122.63 125.1 44.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 12.3 ptp -136.06 -179.96 5.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.875 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.7 mt -61.81 146.64 48.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -77.31 -54.77 6.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 43.8 t-20 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.851 180.0 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.661 ' O ' HG23 ' A' ' 25' ' ' VAL . 18.0 mp0 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.763 0.315 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -60.25 -27.23 67.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.5 mtpt -78.11 -57.63 3.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 41.2 tp -51.64 -28.58 14.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 21' ' ' GLN . 84.7 t -80.8 -43.69 21.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.155 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.442 ' CE1' ' HB3' ' A' ' 65' ' ' LEU . 45.2 t80 -62.88 -26.02 68.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.451 ' NE2' ' OE1' ' A' ' 30' ' ' GLU . 9.7 mm-40 -81.3 -27.11 35.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 37.0 mt -76.18 -30.34 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.592 HD11 ' CD2' ' A' ' 57' ' ' LEU . 70.1 mt -73.45 -42.73 56.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.165 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.451 ' OE1' ' NE2' ' A' ' 27' ' ' GLN . 7.1 pt-20 -68.04 -22.8 64.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -73.36 -40.26 64.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.934 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.439 ' HB1' ' O ' ' A' ' 36' ' ' GLY . . . -53.44 -29.45 35.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.104 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 85.48 -173.39 47.78 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.529 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -51.5 -35.64 41.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.861 0.362 . . . . 0.0 110.839 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.6 mtmm -52.21 -28.66 19.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.439 ' O ' ' HB1' ' A' ' 32' ' ' ALA . . . 84.21 -176.67 51.71 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.456 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.537 HD13 HG22 ' A' ' 42' ' ' VAL . 9.7 tt -145.42 149.33 16.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 0.0 111.143 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.545 ' CE3' ' HB2' ' A' ' 40' ' ' ARG . 5.6 t90 -81.71 131.71 35.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 38' ' ' TRP . 83.5 p -37.13 -46.58 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.862 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.545 ' HB2' ' CE3' ' A' ' 38' ' ' TRP . 28.9 mtp180 -61.37 -56.11 23.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.449 ' HB3' ' CG1' ' A' ' 37' ' ' ILE . 2.6 t70 -39.11 -29.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.541 HG11 HG13 ' A' ' 25' ' ' VAL . 23.8 t -72.43 -50.34 35.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.488 ' HD2' ' CD2' ' A' ' 50' ' ' LEU . 8.0 mtp-105 -37.91 -47.04 1.02 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -67.92 -54.84 15.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.948 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.9 mmtt -55.42 -62.97 1.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.929 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.484 ' CB ' HG22 ' A' ' 25' ' ' VAL . 92.1 p -63.49 -19.62 64.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.818 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 51.4 t30 62.79 27.49 16.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.471 HD11 ' CG ' ' A' ' 21' ' ' GLN . 49.5 mt -112.13 156.51 41.82 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.62 0.724 . . . . 0.0 110.901 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 157.45 60.35 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.703 2.269 . . . . 0.0 112.39 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.59 HD13 ' O ' ' A' ' 50' ' ' LEU . 0.4 OUTLIER -48.13 -48.34 34.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.875 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.4 t -53.5 -25.17 15.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.215 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.427 ' O ' HD12 ' A' ' 56' ' ' ILE . 13.9 mm-40 -87.43 -48.94 7.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.415 ' N ' HD12 ' A' ' 53' ' ' ILE . 1.7 mp -61.15 -33.71 57.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.446 ' CG ' ' CD1' ' A' ' 50' ' ' LEU . 11.3 m-20 -68.6 -53.47 22.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.442 ' HG3' ' N ' ' A' ' 56' ' ' ILE . 17.5 ptpt -65.78 -38.23 88.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.442 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 33.8 mt -68.64 -54.13 22.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.112 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.623 HD13 ' CE1' ' A' ' 80' ' ' TYR . 15.7 mt -51.93 -32.45 33.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.489 ' CE ' ' OE1' ' A' ' 61' ' ' GLU . 1.0 OUTLIER -78.46 -58.95 2.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.839 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -37.81 -41.48 0.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.7 mt -66.99 -46.9 73.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.931 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.499 ' OE2' ' N ' ' A' ' 68' ' ' ALA . 36.0 mt-10 -55.84 -17.69 6.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t -92.48 -29.49 16.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.9 mttm -86.64 14.97 6.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.7 mmtp 56.76 26.56 11.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.894 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.442 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 42.3 mt -90.81 -32.63 16.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.881 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.451 HD11 ' O ' ' A' ' 57' ' ' LEU . 21.2 pt -145.99 -175.71 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.163 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.4 pttt -158.33 162.33 37.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.499 ' N ' ' OE2' ' A' ' 61' ' ' GLU . . . -100.19 125.94 46.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.079 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 77.4 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.083 -179.995 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 10.2 t . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.86 0.362 . . . . 0.0 111.086 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.623 ' CE1' HD13 ' A' ' 57' ' ' LEU . 76.4 m-85 -124.91 141.16 52.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.941 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 19.2 ptp -152.11 174.92 13.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 17.9 mt -56.84 137.84 54.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -66.19 -39.3 89.6 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 21.3 t30 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.562 ' O ' HG23 ' A' ' 25' ' ' VAL . 2.9 mp0 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.774 0.321 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -70.02 -17.32 63.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.462 ' HG3' ' N ' ' A' ' 24' ' ' LEU . 15.8 ptmt -92.02 -44.27 8.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.462 ' N ' ' HG3' ' A' ' 23' ' ' LYS . 48.2 tp -58.05 -31.2 66.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.602 HG13 HG11 ' A' ' 42' ' ' VAL . 59.2 t -78.31 -41.44 26.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.535 ' CE1' ' HB3' ' A' ' 65' ' ' LEU . 52.8 t80 -60.51 -35.58 76.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -67.5 -31.91 72.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.539 HD13 ' HB2' ' A' ' 45' ' ' LYS . 39.6 mt -73.74 -38.87 52.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.117 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.628 HD13 HD13 ' A' ' 66' ' ' ILE . 74.1 mt -63.81 -55.23 23.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.33 -24.73 60.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -69.79 -37.87 76.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.546 ' HB1' ' O ' ' A' ' 36' ' ' GLY . . . -55.91 -39.26 71.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.55 -173.61 40.56 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.479 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -43.06 -47.62 5.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.88 0.371 . . . . 0.0 110.88 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 56.2 mttm -45.29 -39.89 7.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.546 ' O ' ' HB1' ' A' ' 32' ' ' ALA . . . 92.66 -174.37 36.18 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.515 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.432 ' HB ' ' HB2' ' A' ' 32' ' ' ALA . 14.4 tt -144.32 154.31 15.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.818 0.342 . . . . 0.0 111.12 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.545 ' CZ3' ' HD2' ' A' ' 40' ' ' ARG . 6.1 t90 -88.03 129.64 35.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 38' ' ' TRP . 1.9 t -34.91 -46.0 0.29 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.545 ' HD2' ' CZ3' ' A' ' 38' ' ' TRP . 78.0 mtt-85 -60.39 -60.31 4.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 40' ' ' ARG . 10.4 t0 -36.64 -31.43 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.602 HG11 HG13 ' A' ' 25' ' ' VAL . 93.4 t -70.96 -54.07 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.084 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 42' ' ' VAL . 13.4 mtm105 -35.47 -49.39 0.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -64.94 -53.76 41.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.966 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.539 ' HB2' HD13 ' A' ' 28' ' ' ILE . 59.2 mmtt -56.73 -63.12 1.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.912 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.442 ' CB ' HG22 ' A' ' 25' ' ' VAL . 91.8 p -62.04 -25.89 67.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.885 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 68.56 28.9 5.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.5 ' HB2' HD11 ' A' ' 53' ' ' ILE . 50.8 mt -112.14 156.6 41.7 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.623 0.725 . . . . 0.0 110.87 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 158.19 57.74 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.703 2.269 . . . . 0.0 112.31 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.667 HD13 ' C ' ' A' ' 50' ' ' LEU . 3.2 tm? -49.2 -46.27 45.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.941 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.6 t -55.9 -22.48 26.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.101 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.466 ' O ' HD12 ' A' ' 56' ' ' ILE . 39.8 mm-40 -89.83 -47.13 8.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.5 HD11 ' HB2' ' A' ' 48' ' ' LEU . 1.7 mp -64.63 -25.2 37.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.169 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.579 ' ND2' HD11 ' A' ' 50' ' ' LEU . 9.3 m-20 -75.13 -52.18 11.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 56' ' ' ILE . 9.2 pttp -67.92 -35.52 78.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.467 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 43.3 mt -71.73 -54.47 16.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.13 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.514 ' O ' HD11 ' A' ' 66' ' ' ILE . 26.0 mt -48.58 -44.71 37.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.893 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' A' ' 61' ' ' GLU . 34.6 tttp -71.55 -62.36 1.44 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 55' ' ' LYS . 2.1 m-80 -35.04 -44.39 0.23 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 71.0 mt -62.71 -45.35 93.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.65 ' OE2' ' HB2' ' A' ' 68' ' ' ALA . 47.5 mt-10 -56.98 -19.32 17.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 t -88.85 -28.3 20.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.824 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.9 mttm -86.13 14.44 6.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 33.2 mmtm 57.32 29.45 16.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.911 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.535 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 20.8 mt -93.76 -39.78 10.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.628 HD13 HD13 ' A' ' 29' ' ' ILE . 24.5 pt -138.81 -177.29 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.156 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.412 ' CD ' ' HA ' ' A' ' 83' ' ' TYR . 1.5 ptmt -152.2 169.42 22.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.65 ' HB2' ' OE2' ' A' ' 61' ' ' GLU . . . -108.76 121.54 45.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.132 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 97.1 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.087 -179.976 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 10.4 t . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.817 0.341 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.511 ' CE1' HD13 ' A' ' 57' ' ' LEU . 95.5 m-85 -126.16 149.23 49.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.978 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 10.6 ptp -162.83 170.26 18.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.7 mt -48.19 142.44 5.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.418 ' N ' ' HA ' ' A' ' 66' ' ' ILE . 55.7 t80 -67.65 -43.34 80.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.902 179.981 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.761 ' O ' HG23 ' A' ' 25' ' ' VAL . 90.7 mt-30 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.747 0.308 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.471 ' OE1' HD21 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -58.05 -33.42 69.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.9 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.2 mtpp -73.3 -61.02 1.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 51.3 tp -44.78 -38.94 4.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.818 HG21 HD13 ' A' ' 56' ' ' ILE . 47.6 t -68.92 -52.45 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.464 ' HA ' HD12 ' A' ' 29' ' ' ILE . 59.4 t80 -56.87 -31.68 65.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.426 ' NE2' ' HA ' ' A' ' 27' ' ' GLN . 11.3 mm100 -71.62 -30.47 65.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.902 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.631 HG21 ' CB ' ' A' ' 45' ' ' LYS . 43.4 mt -77.81 -32.25 17.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.155 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.542 HD13 HD13 ' A' ' 66' ' ' ILE . 52.8 mt -68.31 -53.3 29.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.136 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -56.64 -31.66 64.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.865 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -66.04 -34.34 77.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.894 ' HB1' ' O ' ' A' ' 36' ' ' GLY . . . -53.47 -37.14 62.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.158 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 84.22 -175.04 51.18 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.462 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -42.27 -44.68 3.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.873 0.368 . . . . 0.0 110.888 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 19.5 mtpt -47.98 -39.7 20.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.894 ' O ' ' HB1' ' A' ' 32' ' ' ALA . . . 94.95 -165.93 25.8 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.474 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.498 ' HB ' ' HB2' ' A' ' 32' ' ' ALA . 20.6 tt -153.11 139.93 12.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.835 0.35 . . . . 0.0 111.082 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.581 ' CZ3' ' HD3' ' A' ' 40' ' ' ARG . 1.0 OUTLIER -81.05 130.23 34.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.904 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.541 ' HA ' HD11 ' A' ' 57' ' ' LEU . 7.7 t -34.74 -42.65 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.841 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.581 ' HD3' ' CZ3' ' A' ' 38' ' ' TRP . 27.1 mtp85 -57.26 -55.84 29.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -40.85 -39.42 1.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.581 ' CG1' HG13 ' A' ' 25' ' ' VAL . 40.9 t -60.37 -53.47 48.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.153 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -38.16 -41.61 0.61 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.841 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -80.65 -57.47 3.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.972 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.631 ' CB ' HG21 ' A' ' 28' ' ' ILE . 50.8 mmtt -51.04 -60.78 2.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.865 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.499 ' CB ' HG22 ' A' ' 25' ' ' VAL . 17.5 m -69.44 -20.53 63.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 17.9 m120 64.8 28.69 12.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.469 HD13 ' CD1' ' A' ' 56' ' ' ILE . 19.8 mt -108.74 157.97 35.31 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.621 0.724 . . . . 0.0 110.876 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 155.19 66.73 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.672 2.248 . . . . 0.0 112.369 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.747 HD13 ' O ' ' A' ' 50' ' ' LEU . 2.2 tm? -46.98 -47.03 21.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.883 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 15.3 t -58.21 -25.87 62.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.587 ' O ' HD12 ' A' ' 56' ' ' ILE . 27.5 mm-40 -84.59 -40.59 17.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.8 mp -67.29 -34.0 66.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.154 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -68.72 -50.29 51.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 56' ' ' ILE . 17.9 ptpt -64.99 -42.5 94.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.818 HD13 HG21 ' A' ' 25' ' ' VAL . 29.7 mt -65.54 -58.32 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.159 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.747 HD13 ' CE1' ' A' ' 80' ' ' TYR . 33.5 mt -47.3 -39.39 14.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 59' ' ' ASN . 27.7 ttpt -75.68 -60.7 2.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 58' ' ' LYS . 15.0 m-80 -36.15 -47.99 0.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.912 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.471 HD21 ' OE1' ' A' ' 22' ' ' GLU . 65.0 mt -61.8 -48.28 81.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.601 ' OE2' ' HB2' ' A' ' 68' ' ' ALA . 7.7 mt-10 -51.12 -19.11 1.02 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.94 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 t -91.25 -33.78 15.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.839 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.6 mttp -79.93 12.08 2.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.3 mmmt 59.66 29.53 19.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 75.1 mt -94.28 -35.97 12.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.542 HD13 HD13 ' A' ' 29' ' ' ILE . 33.3 pt -144.08 -178.01 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.137 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.4 pttp -151.24 162.45 40.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.975 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.601 ' HB2' ' OE2' ' A' ' 61' ' ' GLU . . . -98.52 127.89 44.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.126 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 84.3 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.146 179.988 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 31.5 t . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.853 0.359 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.747 ' CE1' HD13 ' A' ' 57' ' ' LEU . 49.8 m-85 -134.4 149.13 50.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 10.1 ptp -159.74 175.03 13.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.892 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.4 mt -54.65 138.01 42.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -72.2 -27.49 62.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 31.7 m120 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.854 -179.983 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.566 ' O ' HG23 ' A' ' 25' ' ' VAL . 84.2 mt-30 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.778 0.323 . . . . 0.0 110.947 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -67.6 -24.12 65.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.448 ' HG3' ' N ' ' A' ' 24' ' ' LEU . 20.2 pttt -81.74 -34.29 30.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.448 ' N ' ' HG3' ' A' ' 23' ' ' LYS . 60.0 tp -72.22 -32.29 66.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.695 HG13 HG11 ' A' ' 42' ' ' VAL . 58.8 t -75.43 -44.87 41.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -59.16 -38.55 80.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.957 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.402 ' NE2' ' O ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -62.32 -38.12 88.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.937 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.435 HD13 ' HB2' ' A' ' 45' ' ' LYS . 20.1 mt -71.56 -35.01 54.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.169 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 92.9 mt -63.64 -48.93 84.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.098 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -63.89 -24.83 67.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -69.75 -38.08 76.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.574 ' HB1' ' O ' ' A' ' 36' ' ' GLY . . . -53.14 -38.14 62.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.084 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.54 -179.84 41.95 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.485 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.48 ' O ' ' CE ' ' A' ' 81' ' ' MET . 5.7 t-20 -45.14 -35.45 3.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.884 0.373 . . . . 0.0 110.851 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 27.2 mmtp -51.42 -45.2 62.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.574 ' O ' ' HB1' ' A' ' 32' ' ' ALA . . . 104.09 -175.24 22.9 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.445 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.527 ' O ' HG13 ' A' ' 79' ' ' VAL . 17.2 tt -148.12 151.81 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.842 0.353 . . . . 0.0 111.166 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.463 ' O ' ' N ' ' A' ' 41' ' ' ASP . 9.3 t90 -92.29 128.01 37.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.428 ' HA ' HD11 ' A' ' 57' ' ' LEU . 76.2 p -38.94 -38.9 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.431 ' O ' ' CE2' ' A' ' 44' ' ' TYR . 34.7 ttm-85 -62.24 -41.57 98.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 38' ' ' TRP . 5.5 t70 -59.13 -42.44 90.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.695 HG11 HG13 ' A' ' 25' ' ' VAL . 54.6 t -58.1 -49.96 79.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.159 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.479 ' CZ ' ' HB3' ' A' ' 43' ' ' ARG . 6.8 mtp-105 -35.2 -45.75 0.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.431 ' CE2' ' O ' ' A' ' 40' ' ' ARG . 4.4 m-85 -74.08 -55.83 5.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.435 ' HB2' HD13 ' A' ' 28' ' ' ILE . 0.7 OUTLIER -55.1 -63.17 1.24 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.898 179.914 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.547 ' CB ' HG22 ' A' ' 25' ' ' VAL . 78.2 p -60.92 -15.64 33.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 51.8 t30 56.2 36.07 26.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.931 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.534 HD11 ' HB3' ' A' ' 21' ' ' GLN . 28.1 mt -120.26 157.62 52.97 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.559 0.695 . . . . 0.0 110.953 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 155.78 65.11 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.681 2.254 . . . . 0.0 112.351 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.623 HD13 ' C ' ' A' ' 50' ' ' LEU . 3.0 tm? -47.48 -47.48 27.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.922 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.8 t -57.08 -24.73 56.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.164 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.503 ' O ' HD12 ' A' ' 56' ' ' ILE . 26.7 mm-40 -86.03 -40.95 15.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.7 mp -67.09 -33.16 61.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.147 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -68.92 -54.85 13.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.3 ptmm? -63.47 -37.6 87.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.921 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.591 HD13 HG21 ' A' ' 25' ' ' VAL . 59.2 mt -69.64 -55.22 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.539 ' O ' HD11 ' A' ' 66' ' ' ILE . 41.6 mt -51.79 -36.31 47.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 59' ' ' ASN . 25.2 ttpt -71.92 -61.85 1.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.43 ' C ' ' O ' ' A' ' 58' ' ' LYS . 16.3 m-20 -35.05 -55.18 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.463 ' CB ' HG12 ' A' ' 66' ' ' ILE . 25.7 mt -55.9 -45.74 78.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.938 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 58' ' ' LYS . 54.7 mt-10 -58.2 -23.74 56.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.919 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.0 t -95.07 -24.73 16.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.4 mtpp -88.48 20.17 3.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.944 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.7 mmtt 52.42 44.0 30.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.463 HD12 HD23 ' A' ' 60' ' ' LEU . 70.8 mt -113.65 -31.74 6.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.933 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.539 HD11 ' O ' ' A' ' 57' ' ' LEU . 34.0 pt -147.54 -176.79 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.166 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 43.1 pttt -156.93 166.03 34.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -94.59 127.99 40.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.103 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 72.7 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.084 -179.982 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.527 HG13 ' O ' ' A' ' 37' ' ' ILE . 15.1 t . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.842 0.353 . . . . 0.0 111.123 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.476 ' CE1' HD13 ' A' ' 57' ' ' LEU . 39.6 m-85 -129.88 149.44 51.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.48 ' CE ' ' O ' ' A' ' 34' ' ' ASN . 7.6 ptp -157.12 167.75 29.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 28.4 mt -51.12 137.53 21.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.458 ' N ' ' HA ' ' A' ' 66' ' ' ILE . 25.9 t80 -75.8 -29.05 58.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.824 -179.969 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.515 ' O ' HG23 ' A' ' 25' ' ' VAL . 7.5 mp0 . . . . . 0 C--O 1.23 0.039 0 CA-C-O 120.769 0.318 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -67.77 -19.63 65.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 24' ' ' LEU . 12.7 ptmt -87.91 -33.8 18.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.406 ' N ' ' HG3' ' A' ' 23' ' ' LYS . 69.0 tp -74.29 -25.96 59.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 21' ' ' GLN . 92.1 t -81.43 -41.89 19.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.102 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.56 ' CE1' ' HB3' ' A' ' 65' ' ' LEU . 45.9 t80 -63.0 -23.37 67.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.8 -25.32 30.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.946 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.546 HG21 ' CB ' ' A' ' 45' ' ' LYS . 24.6 mt -81.52 -29.88 10.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.12 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.69 HG23 ' O ' ' A' ' 80' ' ' TYR . 37.0 mt -72.2 -48.4 49.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -60.54 -24.12 65.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -69.93 -38.31 76.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.55 ' HB1' ' O ' ' A' ' 36' ' ' GLY . . . -54.07 -33.89 58.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.1 -172.88 42.33 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.464 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.7 p-10 -49.23 -35.63 18.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.866 0.365 . . . . 0.0 110.908 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 29.1 mtmt -56.31 -31.55 63.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.55 ' O ' ' HB1' ' A' ' 32' ' ' ALA . . . 83.24 -173.61 51.92 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.535 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.476 HG12 ' N ' ' A' ' 38' ' ' TRP . 13.4 tt -145.66 157.86 12.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.772 0.32 . . . . 0.0 111.155 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.573 ' CH2' ' HD3' ' A' ' 40' ' ' ARG . 5.6 t90 -88.48 141.11 28.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.3 t -41.56 -56.88 2.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.573 ' HD3' ' CH2' ' A' ' 38' ' ' TRP . 1.0 OUTLIER -51.97 -62.25 1.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 40' ' ' ARG . 42.8 t0 -34.38 -38.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.498 HG11 HG13 ' A' ' 25' ' ' VAL . 19.9 t -63.12 -52.24 61.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.126 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 47' ' ' ASN . 30.5 mtp180 -34.27 -58.98 0.46 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -55.85 -51.79 66.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.939 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.546 ' CB ' HG21 ' A' ' 28' ' ' ILE . 46.5 mmtt -55.01 -63.21 1.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.888 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.466 ' HB3' HG22 ' A' ' 25' ' ' VAL . 51.0 p -68.58 -10.16 54.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 43' ' ' ARG . 19.8 t-20 56.11 26.58 10.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.413 ' HB2' HD11 ' A' ' 53' ' ' ILE . 28.9 mt -109.35 156.78 38.85 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.602 0.715 . . . . 0.0 110.887 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 157.37 60.59 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.657 2.238 . . . . 0.0 112.362 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.593 HD13 ' C ' ' A' ' 50' ' ' LEU . 3.4 tm? -48.58 -46.59 39.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.6 t -57.25 -23.84 50.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.151 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.522 ' O ' HD12 ' A' ' 56' ' ' ILE . 38.9 mm-40 -87.88 -41.75 12.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.413 HD11 ' HB2' ' A' ' 48' ' ' LEU . 1.7 mp -68.37 -30.18 46.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.098 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -72.02 -53.25 13.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 56' ' ' ILE . 0.2 OUTLIER -66.27 -36.7 83.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 179.92 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.522 HD12 ' O ' ' A' ' 52' ' ' GLU . 60.6 mt -70.26 -54.52 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.161 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.581 HD13 ' CE2' ' A' ' 80' ' ' TYR . 35.7 mt -50.51 -41.77 53.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 59' ' ' ASN . 22.7 ttmt -65.6 -60.47 2.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 58' ' ' LYS . 2.2 m-80 -35.2 -50.44 0.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 71.4 mt -56.84 -47.67 79.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 58' ' ' LYS . 41.6 mt-10 -55.78 -16.48 4.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.2 t -91.17 -25.69 19.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.8 mttm -91.45 13.19 18.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.6 mttp 59.42 26.27 15.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.904 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.56 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 70.8 mt -89.17 -32.59 17.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.434 HD12 ' HB3' ' A' ' 80' ' ' TYR . 19.4 pt -145.45 -175.36 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.9 pttm -160.64 158.25 28.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.417 ' N ' ' OE2' ' A' ' 61' ' ' GLU . . . -92.83 123.59 36.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.101 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 86.7 t . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.093 -179.973 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.459 HG13 ' N ' ' A' ' 37' ' ' ILE . 46.2 t . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.856 0.36 . . . . 0.0 111.135 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.69 ' O ' HG23 ' A' ' 29' ' ' ILE . 94.5 m-85 -109.85 113.16 25.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 19.0 ptp -127.13 176.12 7.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 28.6 mt -56.62 138.03 52.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -71.35 -28.5 64.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 23.8 t30 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 -179.988 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.476 ' O ' HG23 ' A' ' 25' ' ' VAL . 88.0 mt-30 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.715 0.293 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -52.62 -31.29 35.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.01 -60.34 2.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.909 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 44.5 tp -46.63 -31.46 2.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.634 HG21 HD13 ' A' ' 56' ' ' ILE . 95.1 t -75.81 -49.56 25.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.146 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.41 ' HA ' HD12 ' A' ' 29' ' ' ILE . 76.7 t80 -58.5 -34.07 70.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.921 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -69.17 -31.71 70.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 31.5 mt -76.31 -32.79 22.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.107 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.549 HG23 ' O ' ' A' ' 80' ' ' TYR . 51.3 mt -69.54 -56.39 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.16 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.618 ' HB2' HD11 ' A' ' 82' ' ' LEU . 13.5 pt-20 -58.3 -31.78 67.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -62.99 -37.47 87.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.403 ' HB1' ' O ' ' A' ' 36' ' ' GLY . . . -53.15 -39.3 63.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.088 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.5 -165.61 26.2 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.483 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -52.74 -45.68 67.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.95 0.405 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.3 mmtt -48.12 -37.2 14.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.403 ' O ' ' HB1' ' A' ' 32' ' ' ALA . . . 88.39 -174.13 43.08 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.517 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.474 HG12 ' N ' ' A' ' 38' ' ' TRP . 14.2 tt -140.86 159.43 23.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.865 0.365 . . . . 0.0 111.099 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.564 ' CZ3' ' HD2' ' A' ' 40' ' ' ARG . 2.2 t90 -94.32 130.62 40.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 38' ' ' TRP . 31.5 t -34.14 -51.96 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.564 ' HD2' ' CZ3' ' A' ' 38' ' ' TRP . 37.2 mtt85 -57.4 -58.1 9.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.825 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 40' ' ' ARG . 1.7 t70 -35.88 -37.53 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.554 HG11 HG13 ' A' ' 25' ' ' VAL . 57.7 t -65.73 -53.22 40.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 42' ' ' VAL . 19.6 mtp180 -34.0 -51.13 0.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -66.19 -55.0 18.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -53.95 -63.23 1.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.474 ' OG ' HG22 ' A' ' 25' ' ' VAL . 1.9 m -62.82 -25.74 68.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.808 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 70.02 25.03 4.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 24.2 mt -108.09 157.14 36.97 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.581 0.705 . . . . 0.0 110.929 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 155.03 66.99 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.672 2.248 . . . . 0.0 112.319 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.742 HD13 ' O ' ' A' ' 50' ' ' LEU . 1.7 tm? -48.37 -46.06 36.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.7 t -55.63 -24.83 35.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.163 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.626 ' O ' HD12 ' A' ' 56' ' ' ILE . 31.8 mm-40 -87.07 -43.54 12.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.409 HD12 ' N ' ' A' ' 53' ' ' ILE . 1.7 mp -65.74 -39.16 84.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.127 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.598 ' ND2' HD11 ' A' ' 50' ' ' LEU . 11.1 m-20 -63.72 -51.36 65.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.851 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.479 ' HG3' ' N ' ' A' ' 56' ' ' ILE . 18.4 ptpt -64.67 -41.22 96.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.634 HD13 HG21 ' A' ' 25' ' ' VAL . 26.1 mt -66.26 -57.84 8.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.148 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.604 ' O ' HD11 ' A' ' 66' ' ' ILE . 46.0 mt -44.88 -40.51 6.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.954 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' A' ' 61' ' ' GLU . 18.1 ttmt -68.12 -64.88 0.77 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 58' ' ' LYS . 26.3 m-20 -35.16 -50.85 0.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.448 ' CB ' HG12 ' A' ' 66' ' ' ILE . 77.9 mt -57.3 -42.32 81.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.506 ' OE2' ' HB2' ' A' ' 68' ' ' ALA . 64.4 mt-10 -63.99 -24.18 67.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 t -90.73 -25.19 20.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.6 mtpp -91.09 21.57 4.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.907 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 60.3 mmtt 50.86 38.54 20.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 43.2 mt -106.38 -32.3 8.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.604 HD11 ' O ' ' A' ' 57' ' ' LEU . 18.9 pt -147.18 178.12 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.154 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 34.2 pttt -152.54 164.57 37.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.506 ' HB2' ' OE2' ' A' ' 61' ' ' GLU . . . -101.39 122.03 43.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 70.0 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 180.0 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 40.9 t . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.803 0.335 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.552 ' CE1' HD13 ' A' ' 57' ' ' LEU . 77.8 m-85 -117.62 123.75 46.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 14.9 ptp -134.69 177.97 7.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.874 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.618 HD11 ' HB2' ' A' ' 30' ' ' GLU . 8.4 mt -58.16 140.92 51.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.961 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -66.21 -33.77 76.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.934 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.7 m120 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.877 179.979 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.678 ' O ' HG23 ' A' ' 25' ' ' VAL . 81.0 mt-30 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.73 0.3 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -65.4 -26.48 68.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.856 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.6 mtmt -78.12 -60.21 2.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 35.2 tp -41.94 -38.98 1.72 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 21' ' ' GLN . 21.9 t -72.12 -46.64 57.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.466 ' CE1' ' HB3' ' A' ' 65' ' ' LEU . 60.0 t80 -59.3 -28.31 66.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.47 -43.59 31.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.629 HG21 ' CB ' ' A' ' 45' ' ' LYS . 25.7 mt -63.34 -37.78 80.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.491 HD13 HD13 ' A' ' 66' ' ' ILE . 74.0 mt -63.11 -58.81 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -52.47 -26.75 13.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -64.72 -42.22 95.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.431 ' HB2' ' HB ' ' A' ' 37' ' ' ILE . . . -53.52 -39.39 64.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.119 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.78 -160.08 30.96 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.476 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.528 ' O ' ' HE1' ' A' ' 81' ' ' MET . 5.1 m-20 -54.12 -47.49 71.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.9 0.381 . . . . 0.0 110.893 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.4 ptpt -45.04 -29.72 0.92 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.469 ' HA3' ' CG1' ' A' ' 79' ' ' VAL . . . 83.02 179.16 52.59 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.496 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.431 ' HB ' ' HB2' ' A' ' 32' ' ' ALA . 15.5 tt -136.23 150.33 27.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.835 0.35 . . . . 0.0 111.145 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.544 ' CE3' ' HB2' ' A' ' 40' ' ' ARG . 4.1 t90 -84.99 127.44 34.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 38' ' ' TRP . 86.1 p -35.0 -42.9 0.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.823 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.544 ' HB2' ' CE3' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -60.86 -57.93 10.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -39.58 -30.66 0.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.638 ' CG1' HG13 ' A' ' 25' ' ' VAL . 58.3 t -69.78 -41.92 79.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' A' ' 40' ' ' ARG . 40.9 mtp180 -48.77 -37.05 17.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.815 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -81.19 -63.38 1.42 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.629 ' CB ' HG21 ' A' ' 28' ' ' ILE . 14.6 mmmm -48.18 -55.1 11.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.468 ' N ' HD13 ' A' ' 28' ' ' ILE . 5.9 m -71.14 -14.35 62.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.799 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.6 m120 56.73 31.85 20.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 32.2 mt -117.05 156.26 48.55 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.588 0.709 . . . . 0.0 110.934 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 155.22 66.59 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.708 2.272 . . . . 0.0 112.366 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.5 HD13 ' C ' ' A' ' 50' ' ' LEU . 3.4 tm? -47.03 -49.42 21.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.918 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.3 t -54.03 -25.29 20.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.168 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.607 ' O ' HD12 ' A' ' 56' ' ' ILE . 35.3 mm-40 -87.32 -39.57 15.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.429 ' N ' HD12 ' A' ' 53' ' ' ILE . 1.8 mp -69.31 -33.84 59.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.133 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.448 HD21 HD21 ' A' ' 50' ' ' LEU . 1.2 m-80 -67.64 -52.96 32.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.469 ' HG3' ' N ' ' A' ' 56' ' ' ILE . 16.6 ptpt -65.61 -41.78 92.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.607 HD12 ' O ' ' A' ' 52' ' ' GLU . 43.0 mt -65.86 -56.73 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.526 ' O ' HD11 ' A' ' 66' ' ' ILE . 33.8 mt -47.56 -43.36 25.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' A' ' 61' ' ' GLU . 8.7 tptp -67.71 -63.0 1.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 58' ' ' LYS . 15.1 m-80 -34.99 -51.18 0.51 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.888 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 65.5 mt -55.88 -42.88 76.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 58' ' ' LYS . 48.6 mt-10 -61.17 -17.84 55.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.2 t -90.8 -26.58 19.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.9 mttm -92.11 19.43 6.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.495 ' HG2' ' CE2' ' A' ' 83' ' ' TYR . 14.5 mtpp 53.67 31.76 13.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.466 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 23.6 mt -96.14 -28.28 14.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.949 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.526 HD11 ' O ' ' A' ' 57' ' ' LEU . 19.7 pt -153.04 176.95 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.9 pttp -150.86 160.99 43.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.898 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.485 ' HB2' ' OE2' ' A' ' 61' ' ' GLU . . . -98.71 127.65 44.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.079 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.506 HG21 ' HE3' ' A' ' 81' ' ' MET . 93.0 t . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.469 ' CG1' ' HA3' ' A' ' 36' ' ' GLY . 20.4 t . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.876 0.369 . . . . 0.0 111.109 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -135.46 136.15 41.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.528 ' HE1' ' O ' ' A' ' 34' ' ' ASN . 9.2 ptp -147.08 165.58 29.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.8 mt -43.83 144.81 0.78 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.495 ' CE2' ' HG2' ' A' ' 64' ' ' LYS . 22.7 t80 -73.73 -29.36 62.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 60.8 t-20 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 179.966 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.55 ' O ' HG23 ' A' ' 25' ' ' VAL . 1.4 mp0 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.725 0.298 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -70.44 -19.74 62.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.461 ' HG3' ' N ' ' A' ' 24' ' ' LEU . 3.1 pttp -82.15 -30.65 30.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.957 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.461 ' N ' ' HG3' ' A' ' 23' ' ' LYS . 27.9 tp -76.57 -26.66 55.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.6 HG13 HG11 ' A' ' 42' ' ' VAL . 37.1 t -80.68 -39.84 18.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.135 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -62.89 -39.08 93.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.406 ' HA ' ' NE2' ' A' ' 27' ' ' GLN . 9.2 mm-40 -63.55 -37.13 86.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.913 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.614 HD13 ' HB2' ' A' ' 45' ' ' LYS . 50.5 mt -68.85 -40.24 81.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.422 HG23 ' O ' ' A' ' 80' ' ' TYR . 64.4 mt -62.69 -52.89 54.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -58.59 -27.9 65.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -64.58 -40.24 95.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.443 ' HB1' ' O ' ' A' ' 36' ' ' GLY . . . -53.96 -39.82 66.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.87 -143.11 16.29 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.468 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -76.43 -24.82 53.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.922 0.391 . . . . 0.0 110.95 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 20.5 pttt -70.53 -5.98 32.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.443 ' O ' ' HB1' ' A' ' 32' ' ' ALA . . . 59.14 -175.56 2.99 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.44 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.65 HD13 HG22 ' A' ' 42' ' ' VAL . 13.1 tt -143.13 149.92 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.836 0.351 . . . . 0.0 111.115 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.467 ' CE3' ' HB3' ' A' ' 40' ' ' ARG . 12.9 t90 -80.89 137.55 36.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 65.6 p -43.67 -42.55 5.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.467 ' HB3' ' CE3' ' A' ' 38' ' ' TRP . 38.3 ttt180 -67.11 -55.59 13.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.879 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -41.18 -30.56 0.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.65 HG22 HD13 ' A' ' 37' ' ' ILE . 97.2 t -71.98 -51.28 31.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.167 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 42' ' ' VAL . 32.0 mtp180 -34.1 -54.29 0.49 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -59.84 -56.91 15.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.953 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.614 ' HB2' HD13 ' A' ' 28' ' ' ILE . 41.5 mmtt -51.91 -61.49 2.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.918 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 89.9 p -68.06 -11.92 59.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 54.05 26.94 6.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.523 HD21 ' HG3' ' A' ' 21' ' ' GLN . 36.1 mt -107.07 157.19 35.96 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.605 0.717 . . . . 0.0 110.934 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 155.17 66.68 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.747 2.298 . . . . 0.0 112.303 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.726 HD13 ' O ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -48.9 -44.26 40.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.916 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.6 t -58.38 -24.09 58.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.13 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.446 ' O ' HD12 ' A' ' 56' ' ' ILE . 7.3 mm-40 -87.18 -44.4 11.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.484 HD11 ' HB2' ' A' ' 48' ' ' LEU . 1.7 mp -66.22 -36.2 76.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.171 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.448 ' ND2' HD11 ' A' ' 50' ' ' LEU . 9.0 m-20 -68.17 -52.49 33.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -67.41 -37.67 83.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.446 HD12 ' O ' ' A' ' 52' ' ' GLU . 52.2 mt -70.15 -55.38 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.132 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.678 HD13 ' CE2' ' A' ' 80' ' ' TYR . 18.7 mt -45.2 -48.29 12.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 40.8 tttm -66.1 -57.99 6.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 26.1 m-20 -41.39 -29.32 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 84.1 mt -76.46 -44.84 33.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -58.59 -17.19 19.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.2 t -86.78 -35.03 19.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.4 mttp -80.9 12.1 3.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.586 ' HD2' ' CE2' ' A' ' 83' ' ' TYR . 17.0 mmtp 58.4 36.83 25.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.868 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 97.5 mt -101.43 -31.03 11.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.897 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.414 ' HA ' ' N ' ' A' ' 83' ' ' TYR . 5.9 pt -145.05 -175.02 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.2 ptmt -158.19 167.65 29.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -101.01 122.77 44.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.083 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 91.4 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.146 179.959 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 13.2 t . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.862 0.363 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.678 ' CE2' HD13 ' A' ' 57' ' ' LEU . 99.1 m-85 -122.34 128.73 51.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.946 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 9.4 ptp -138.44 174.0 11.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.904 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.6 mt -53.12 138.31 31.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.586 ' CE2' ' HD2' ' A' ' 64' ' ' LYS . 37.9 t80 -69.0 -26.46 65.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.865 -179.979 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.771 0.32 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -52.84 -16.52 1.03 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 31.9 mtpt -88.96 -58.33 2.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 37.7 tp -50.62 -28.06 8.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.608 HG21 HG21 ' A' ' 56' ' ' ILE . 91.6 t -79.41 -46.15 23.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.11 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.414 ' HA ' HD12 ' A' ' 29' ' ' ILE . 60.5 t80 -57.84 -39.09 76.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -67.39 -35.3 79.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.919 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.455 HD12 ' HA ' ' A' ' 25' ' ' VAL . 42.5 mt -68.15 -36.57 75.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.513 HD13 HG21 ' A' ' 66' ' ' ILE . 49.9 mt -65.91 -55.56 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.099 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -56.51 -24.45 46.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -67.64 -43.27 80.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.79 ' HB1' ' O ' ' A' ' 36' ' ' GLY . . . -53.78 -27.55 29.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.07 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.22 -153.26 26.39 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.463 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -65.42 -45.02 85.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.875 0.369 . . . . 0.0 110.901 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.6 mtmm -46.18 -38.46 8.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.79 ' O ' ' HB1' ' A' ' 32' ' ' ALA . . . 96.42 -167.13 24.57 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.488 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.494 HD13 HG22 ' A' ' 42' ' ' VAL . 15.8 tt -146.91 158.03 10.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.818 0.342 . . . . 0.0 111.162 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.51 ' CZ3' ' HD2' ' A' ' 40' ' ' ARG . 17.8 t90 -96.81 131.79 43.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 38' ' ' TRP . 3.7 t -35.31 -50.31 0.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.51 ' HD2' ' CZ3' ' A' ' 38' ' ' TRP . 7.1 ttm180 -54.06 -50.53 66.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.87 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -49.79 -51.78 37.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.544 HG11 HG13 ' A' ' 25' ' ' VAL . 73.2 t -53.02 -35.62 22.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.408 ' HA ' ' CD1' ' A' ' 53' ' ' ILE . 10.6 ttp180 -46.78 -67.07 0.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -60.85 -53.52 56.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.8 mmtm -44.11 -42.64 6.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 65.3 p -93.98 -7.82 41.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.835 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 56.84 26.92 12.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 67.6 mt -109.49 155.27 41.54 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.598 0.713 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 154.4 67.85 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.661 2.241 . . . . 0.0 112.374 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.658 HD13 ' O ' ' A' ' 50' ' ' LEU . 2.1 tm? -47.99 -45.55 31.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.4 t -54.69 -26.47 33.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -84.83 -48.61 9.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.47 HG22 HD12 ' A' ' 57' ' ' LEU . 1.8 mp -61.02 -29.29 45.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.16 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.475 ' ND2' ' CD1' ' A' ' 50' ' ' LEU . 17.0 m-20 -70.12 -55.27 9.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.46 ' HG3' ' N ' ' A' ' 56' ' ' ILE . 4.5 ptpp? -66.34 -34.16 77.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.608 HG21 HG21 ' A' ' 25' ' ' VAL . 57.3 mt -72.16 -52.08 26.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.489 HD13 ' CE2' ' A' ' 80' ' ' TYR . 32.9 mt -51.48 -38.88 56.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.497 ' O ' ' N ' ' A' ' 61' ' ' GLU . 20.1 tttp -68.73 -62.33 1.43 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 58' ' ' LYS . 2.1 m-80 -35.56 -50.63 0.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.457 ' CB ' HG12 ' A' ' 66' ' ' ILE . 66.4 mt -59.08 -41.2 87.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.981 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.564 ' OE2' ' HB2' ' A' ' 68' ' ' ALA . 53.3 mt-10 -64.97 -20.43 66.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 t -96.16 -25.58 15.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.3 mtpp -87.71 19.14 3.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.929 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt 52.91 35.11 18.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 40.0 mt -102.37 -36.79 8.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.513 HG21 HD13 ' A' ' 29' ' ' ILE . 17.5 pt -140.02 -175.15 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.117 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.9 pttm -160.63 158.59 29.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.564 ' HB2' ' OE2' ' A' ' 61' ' ' GLU . . . -93.15 125.35 37.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.064 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 53.3 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.071 -179.984 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 10.3 t . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.885 0.374 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.495 ' HB3' HD12 ' A' ' 66' ' ' ILE . 97.9 m-85 -132.59 132.69 42.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 12.4 ptp -145.49 162.24 37.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.9 mt -45.36 143.48 1.76 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -77.8 -32.71 52.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.5 t30 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 179.977 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.422 ' O ' HG23 ' A' ' 25' ' ' VAL . 5.7 mp0 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.762 0.315 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -70.6 -22.79 62.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.55 -37.73 12.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 27.9 tp -62.1 -34.05 75.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.657 HG22 ' CB ' ' A' ' 46' ' ' SER . 95.3 t -76.32 -43.96 36.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.136 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.552 ' CE1' ' HB3' ' A' ' 65' ' ' LEU . 59.3 t80 -58.41 -26.51 63.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.882 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.45 -29.8 37.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.928 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 28.6 mt -75.44 -34.48 30.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.491 HD13 HD13 ' A' ' 66' ' ' ILE . 53.5 mt -64.06 -55.2 23.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.146 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.478 ' HB2' HD11 ' A' ' 82' ' ' LEU . 10.2 pt-20 -57.31 -36.04 70.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -56.06 -39.06 71.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.771 ' HB1' ' O ' ' A' ' 36' ' ' GLY . . . -53.34 -38.89 63.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.1 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.83 -174.43 34.46 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.467 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -45.5 -44.42 12.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.85 0.357 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.4 mmmt -48.44 -43.1 34.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.771 ' O ' ' HB1' ' A' ' 32' ' ' ALA . . . 99.58 -165.26 20.16 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.43 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.59 HD13 HG22 ' A' ' 42' ' ' VAL . 15.2 tt -148.95 155.38 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.767 0.318 . . . . 0.0 111.15 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.412 ' N ' HG12 ' A' ' 37' ' ' ILE . 10.1 t90 -88.62 137.03 32.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.956 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.7 p -39.51 -47.51 1.88 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 42' ' ' VAL . 23.7 mtm180 -64.84 -55.86 16.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -38.08 -29.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.59 HG22 HD13 ' A' ' 37' ' ' ILE . 93.4 t -74.48 -53.43 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.175 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 42' ' ' VAL . 22.9 mtp180 -34.38 -48.72 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -65.14 -58.45 5.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.1 mmtp -53.16 -61.14 2.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.881 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.657 ' CB ' HG22 ' A' ' 25' ' ' VAL . 71.3 p -66.21 -4.95 8.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.838 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 47.5 t30 45.4 33.85 1.39 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.2 mt -116.62 156.57 47.52 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.634 0.731 . . . . 0.0 110.933 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 155.01 66.99 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.624 2.216 . . . . 0.0 112.323 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.528 HD13 ' C ' ' A' ' 50' ' ' LEU . 3.2 tm? -47.87 -48.08 31.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.966 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.7 t -55.08 -24.1 23.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.176 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.643 ' O ' HD12 ' A' ' 56' ' ' ILE . 6.4 mm-40 -87.96 -42.31 12.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.502 HG22 HD12 ' A' ' 57' ' ' LEU . 1.7 mp -66.5 -33.32 62.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.167 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -66.72 -54.01 27.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.454 ' HG3' ' N ' ' A' ' 56' ' ' ILE . 17.3 ptpt -62.77 -41.32 99.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.643 HD12 ' O ' ' A' ' 52' ' ' GLU . 23.6 mt -67.28 -57.3 10.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.725 ' O ' HD11 ' A' ' 66' ' ' ILE . 41.4 mt -47.74 -44.55 28.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 59' ' ' ASN . 21.4 mtpp -73.14 -62.1 1.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 58' ' ' LYS . 26.7 m-20 -34.99 -48.95 0.43 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 67.3 mt -60.47 -47.18 87.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.937 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.537 ' OE2' ' HB2' ' A' ' 68' ' ' ALA . 50.7 mt-10 -52.48 -20.26 2.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.2 t -88.24 -32.66 18.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.816 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.7 mttp -82.52 18.4 1.51 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 50.6 mmtt 54.03 37.95 27.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.906 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.552 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 82.7 mt -104.18 -31.76 9.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.725 HD11 ' O ' ' A' ' 57' ' ' LEU . 13.8 pt -148.09 177.41 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.109 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.5 pttt -150.97 162.2 41.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.537 ' HB2' ' OE2' ' A' ' 61' ' ' GLU . . . -101.26 120.1 39.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.124 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 87.3 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.162 179.962 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 41.3 t . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.88 0.371 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.611 ' CE2' HD13 ' A' ' 57' ' ' LEU . 98.8 m-85 -124.25 131.57 53.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 21.1 ptp -142.17 177.02 8.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.832 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.478 HD11 ' HB2' ' A' ' 30' ' ' GLU . 12.3 mt -57.29 141.91 45.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -67.94 -45.81 73.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 41.5 t-20 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.982 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.548 ' HG2' HD21 ' A' ' 48' ' ' LEU . 60.0 mt-30 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.784 0.326 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.488 ' OE2' HG23 ' A' ' 56' ' ' ILE . 10.2 tp10 -65.6 -20.65 66.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.4 pttt -83.44 -35.61 24.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.8 tp -70.56 -36.26 73.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.701 HG13 ' CG1' ' A' ' 42' ' ' VAL . 28.8 t -74.83 -45.84 42.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.46 ' CE1' ' HB3' ' A' ' 65' ' ' LEU . 61.6 t80 -58.02 -28.39 64.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.936 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -79.23 -43.77 23.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.907 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.456 HG21 ' HB2' ' A' ' 45' ' ' LYS . 33.6 mt -64.04 -30.86 51.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.114 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.487 HD11 HG12 ' A' ' 25' ' ' VAL . 54.3 mt -71.52 -52.85 23.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.125 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -58.89 -25.92 63.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -68.36 -33.83 74.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.737 ' HB1' ' O ' ' A' ' 36' ' ' GLY . . . -58.36 -31.15 67.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.13 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 82.86 -165.08 43.42 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.482 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -53.76 -43.98 69.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.843 0.354 . . . . 0.0 110.881 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 68.5 mttt -47.93 -35.93 11.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.737 ' O ' ' HB1' ' A' ' 32' ' ' ALA . . . 92.05 -173.08 35.85 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.467 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.555 ' HB ' ' HB2' ' A' ' 32' ' ' ALA . 13.1 tt -143.18 151.53 17.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.788 0.328 . . . . 0.0 111.144 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.567 ' CH2' ' HD2' ' A' ' 40' ' ' ARG . 7.7 t90 -84.64 136.75 33.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 55.6 p -40.34 -44.16 1.89 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.858 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.567 ' HD2' ' CH2' ' A' ' 38' ' ' TRP . 24.5 mtt180 -64.26 -52.98 56.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.65 -21.74 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.701 ' CG1' HG13 ' A' ' 25' ' ' VAL . 85.1 t -80.91 -38.11 16.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 47' ' ' ASN . 37.1 mtm180 -54.21 -53.11 58.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -61.85 -66.03 0.6 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.96 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.456 ' HB2' HG21 ' A' ' 28' ' ' ILE . 20.7 mmtm -45.45 -50.86 12.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.887 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.8 m -75.0 -16.61 60.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.408 ' N ' ' O ' ' A' ' 43' ' ' ARG . 4.7 m120 56.81 26.5 11.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.877 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.548 HD21 ' HG2' ' A' ' 21' ' ' GLN . 31.0 mt -108.53 157.22 37.16 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.602 0.715 . . . . 0.0 110.91 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 154.68 67.25 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.671 2.248 . . . . 0.0 112.347 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.726 HD13 ' O ' ' A' ' 50' ' ' LEU . 2.0 tm? -47.65 -46.75 29.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.1 t -54.1 -26.24 26.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.101 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.405 ' O ' HD12 ' A' ' 56' ' ' ILE . 35.7 mm-40 -86.08 -45.24 11.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.919 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.402 HD12 ' N ' ' A' ' 53' ' ' ILE . 1.7 mp -63.73 -31.76 54.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.155 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.654 ' ND2' HD11 ' A' ' 50' ' ' LEU . 15.5 m-20 -71.27 -51.39 24.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -66.33 -39.54 89.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.666 HD13 HG21 ' A' ' 25' ' ' VAL . 47.4 mt -68.32 -56.7 11.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.702 ' O ' HD11 ' A' ' 66' ' ' ILE . 35.5 mt -47.7 -36.1 10.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 59' ' ' ASN . 7.8 ttpp -76.07 -62.74 1.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.948 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 58' ' ' LYS . 15.7 m-80 -35.08 -55.21 0.6 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.535 ' CD2' HD12 ' A' ' 65' ' ' LEU . 83.6 mt -54.0 -49.21 69.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.638 ' OE2' ' HB2' ' A' ' 68' ' ' ALA . 46.3 mt-10 -52.27 -27.36 14.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 t -90.57 -28.9 18.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.8 mtpp -85.93 22.12 1.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.481 ' HG2' ' CE2' ' A' ' 83' ' ' TYR . 32.0 mtpt 50.22 42.7 25.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.535 HD12 ' CD2' ' A' ' 60' ' ' LEU . 76.0 mt -112.25 -28.19 8.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.702 HD11 ' O ' ' A' ' 57' ' ' LEU . 18.8 pt -151.48 -175.02 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.6 158.28 33.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.638 ' HB2' ' OE2' ' A' ' 61' ' ' GLU . . . -96.28 122.12 38.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 63.7 t . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 179.984 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.418 HG12 ' N ' ' A' ' 80' ' ' TYR . 14.6 t . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.829 0.347 . . . . 0.0 111.178 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.546 ' CE2' HD13 ' A' ' 57' ' ' LEU . 97.4 m-85 -134.67 146.52 49.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 7.5 ptp -159.38 175.69 13.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.6 mt -54.89 132.58 46.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.481 ' CE2' ' HG2' ' A' ' 64' ' ' LYS . 23.2 t80 -56.69 -39.68 74.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.979 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.648 ' O ' HG23 ' A' ' 25' ' ' VAL . 66.2 mt-30 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.785 0.326 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -68.71 -14.23 62.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 24' ' ' LEU . 21.0 pttt -88.64 -36.08 16.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.431 ' N ' ' HG3' ' A' ' 23' ' ' LYS . 51.8 tp -73.37 -32.36 64.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.767 HG21 HG21 ' A' ' 56' ' ' ILE . 36.3 t -74.07 -40.46 51.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.155 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.432 ' CE1' ' HB3' ' A' ' 65' ' ' LEU . 31.3 t80 -63.69 -27.57 69.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.07 -44.98 28.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.927 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.645 HG21 ' CB ' ' A' ' 45' ' ' LYS . 22.0 mt -61.03 -36.36 71.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.089 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.761 HG23 ' O ' ' A' ' 80' ' ' TYR . 52.5 mt -65.04 -57.48 10.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -55.07 -28.09 49.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -64.69 -38.9 92.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.522 ' HB1' ' O ' ' A' ' 36' ' ' GLY . . . -53.18 -40.13 64.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.1 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.49 -172.52 37.76 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.539 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -46.04 -36.61 5.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.915 0.388 . . . . 0.0 110.874 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -56.46 -37.38 70.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.522 ' O ' ' HB1' ' A' ' 32' ' ' ALA . . . 89.45 179.1 45.25 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.486 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.502 ' O ' HG13 ' A' ' 79' ' ' VAL . 19.0 tt -132.2 157.84 43.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.827 0.346 . . . . 0.0 111.113 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.521 ' CZ3' ' HD2' ' A' ' 40' ' ' ARG . 3.6 t90 -91.52 132.73 36.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.488 ' HA ' HD11 ' A' ' 57' ' ' LEU . 78.2 p -34.55 -58.24 0.49 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.521 ' HD2' ' CZ3' ' A' ' 38' ' ' TRP . 77.5 mtt-85 -52.04 -58.15 7.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 40' ' ' ARG . 4.9 t0 -34.56 -37.75 0.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.474 HG21 HD21 ' A' ' 57' ' ' LEU . 93.6 t -63.13 -48.01 89.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.48 ' N ' ' O ' ' A' ' 40' ' ' ARG . 27.1 mtp180 -42.48 -42.98 3.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -76.35 -58.1 3.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.645 ' CB ' HG21 ' A' ' 28' ' ' ILE . 14.0 mmmm -50.02 -61.22 2.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.467 ' N ' HD13 ' A' ' 28' ' ' ILE . 41.9 m -66.39 -22.36 66.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.887 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 67.16 26.49 8.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 31.1 mt -110.91 156.95 39.94 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.594 0.711 . . . . 0.0 110.943 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 153.67 68.78 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.749 2.299 . . . . 0.0 112.308 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.745 HD13 ' O ' ' A' ' 50' ' ' LEU . 1.1 tm? -46.28 -49.19 17.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.6 t -50.26 -28.43 7.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.166 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -86.28 -45.79 10.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.403 HD12 ' N ' ' A' ' 53' ' ' ILE . 1.8 mp -61.63 -33.66 58.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.104 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.526 ' ND2' HD11 ' A' ' 50' ' ' LEU . 9.5 m-20 -67.93 -53.13 28.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.472 ' HG3' ' N ' ' A' ' 56' ' ' ILE . 7.3 ptpp? -68.68 -34.22 75.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.767 HG21 HG21 ' A' ' 25' ' ' VAL . 57.6 mt -71.99 -50.17 39.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.117 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.915 HD13 ' CE2' ' A' ' 80' ' ' TYR . 16.3 mt -53.83 -40.93 66.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.947 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 59' ' ' ASN . 1.0 OUTLIER -69.45 -59.87 2.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.946 179.808 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 58' ' ' LYS . 27.1 m-20 -35.13 -59.02 0.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.445 ' CB ' HG12 ' A' ' 66' ' ' ILE . 90.2 mt -51.17 -48.11 61.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.474 ' OE2' ' N ' ' A' ' 68' ' ' ALA . 30.7 mt-10 -57.0 -15.47 5.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t -98.83 -32.22 11.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -78.36 9.48 3.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt 62.98 41.56 8.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.432 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 73.2 mt -112.64 -35.05 5.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.697 HD12 ' HB3' ' A' ' 80' ' ' TYR . 23.4 pt -140.15 176.62 5.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.45 ' HE3' ' CG2' ' A' ' 69' ' ' VAL . 46.5 pttt -153.18 165.15 36.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.474 ' N ' ' OE2' ' A' ' 61' ' ' GLU . . . -94.21 120.56 34.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.072 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.45 ' CG2' ' HE3' ' A' ' 67' ' ' LYS . 77.7 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.114 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.502 HG13 ' O ' ' A' ' 37' ' ' ILE . 39.8 t . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.837 0.351 . . . . 0.0 111.11 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.915 ' CE2' HD13 ' A' ' 57' ' ' LEU . 92.2 m-85 -115.09 113.75 24.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.925 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 16.6 ptp -127.62 172.79 10.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 15.8 mt -49.37 136.51 15.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -75.64 -30.9 59.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.936 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.664 ' O ' HG23 ' A' ' 25' ' ' VAL . 2.0 mp0 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.773 0.321 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -66.46 -25.41 66.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.479 ' HG3' ' N ' ' A' ' 24' ' ' LEU . 16.6 ptmt -83.6 -44.65 14.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.479 ' N ' ' HG3' ' A' ' 23' ' ' LYS . 16.4 tp -60.36 -33.04 71.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 21' ' ' GLN . 57.3 t -76.05 -36.37 31.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.455 ' HA ' HD12 ' A' ' 29' ' ' ILE . 49.6 t80 -68.01 -33.01 73.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -72.84 -22.43 60.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 43.7 mt -84.04 -27.79 7.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.168 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.545 HD13 HD13 ' A' ' 66' ' ' ILE . 45.8 mt -73.73 -50.44 29.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.106 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -61.53 -24.45 66.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -72.3 -35.82 68.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.851 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.645 ' HB1' ' O ' ' A' ' 36' ' ' GLY . . . -53.21 -39.04 63.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.112 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.49 -171.31 41.62 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.475 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -49.65 -32.78 13.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.869 0.366 . . . . 0.0 110.893 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 66.7 mttt -56.06 -39.89 72.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.645 ' O ' ' HB1' ' A' ' 32' ' ' ALA . . . 94.88 -174.6 33.1 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.49 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.558 HD13 HG22 ' A' ' 42' ' ' VAL . 14.4 tt -147.26 140.99 19.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.792 0.33 . . . . 0.0 111.173 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.587 ' CZ3' ' HD3' ' A' ' 40' ' ' ARG . 0.9 OUTLIER -82.64 130.18 35.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.635 ' HA ' HD11 ' A' ' 57' ' ' LEU . 2.5 t -34.29 -42.16 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.826 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.587 ' HD3' ' CZ3' ' A' ' 38' ' ' TRP . 33.5 mtp180 -63.47 -55.05 27.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -40.41 -32.69 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.628 HG11 HG13 ' A' ' 25' ' ' VAL . 30.6 t -71.02 -54.84 16.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.142 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 42' ' ' VAL . 20.4 mtp180 -34.36 -43.54 0.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.836 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.41 ' CE2' ' O ' ' A' ' 40' ' ' ARG . 2.0 m-85 -73.72 -53.83 9.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.95 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.7 mmtm -57.66 -60.9 2.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.895 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.51 ' CB ' HG22 ' A' ' 25' ' ' VAL . 76.4 p -65.86 -16.02 63.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.787 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 52.4 m-80 57.89 25.62 12.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.441 ' HB2' HD11 ' A' ' 53' ' ' ILE . 26.9 mt -105.29 157.94 33.28 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.605 0.717 . . . . 0.0 110.939 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 154.39 67.51 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.678 2.252 . . . . 0.0 112.348 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.569 HD13 ' C ' ' A' ' 50' ' ' LEU . 3.4 tm? -47.25 -45.23 23.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.9 t -58.68 -26.25 63.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.165 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.586 ' O ' HD12 ' A' ' 56' ' ' ILE . 31.0 mm-40 -85.25 -41.34 15.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.441 HD11 ' HB2' ' A' ' 48' ' ' LEU . 1.7 mp -67.43 -29.99 47.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.172 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -73.07 -53.12 11.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.454 ' HG3' ' N ' ' A' ' 56' ' ' ILE . 22.2 pttt -65.32 -33.93 77.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.586 HD12 ' O ' ' A' ' 52' ' ' GLU . 50.0 mt -73.6 -53.57 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.13 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.828 HD13 ' CE1' ' A' ' 80' ' ' TYR . 16.9 mt -53.8 -28.73 36.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.6 ttpt -85.22 -57.6 3.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 55' ' ' LYS . 2.0 m-80 -38.9 -49.14 1.65 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.841 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 40.8 mt -58.48 -46.91 85.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.683 ' OE2' ' HB2' ' A' ' 68' ' ' ALA . 11.3 mt-10 -54.83 -17.43 3.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 t -89.34 -29.54 19.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.84 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.3 mttm -84.72 7.54 20.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 53.2 mmtt 65.29 29.03 11.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 50.0 mt -93.53 -37.58 11.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.967 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.545 HD13 HD13 ' A' ' 29' ' ' ILE . 44.8 pt -140.35 -176.44 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.149 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 36.9 pttt -153.97 161.44 41.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.683 ' HB2' ' OE2' ' A' ' 61' ' ' GLU . . . -97.12 130.22 44.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.108 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 80.3 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.14 179.975 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 6.8 t . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.828 0.347 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.828 ' CE1' HD13 ' A' ' 57' ' ' LEU . 89.2 m-85 -124.92 143.13 51.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 9.9 ptp -154.2 162.05 41.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.3 mt -44.1 139.04 2.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -74.24 -32.14 62.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.951 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.906 -179.992 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -126.05 169.65 12.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.887 0.375 . . . . 0.0 110.828 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.3 t -156.93 175.29 14.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.25 143.31 11.32 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.495 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 m -117.23 124.65 49.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.851 0.357 . . . . 0.0 110.896 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -111.98 85.46 2.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.86 92.8 0.52 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.489 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -133.71 144.58 49.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.778 0.323 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.441 ' C ' ' OE1' ' A' ' 10' ' ' GLN . 26.2 t -116.67 104.1 11.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.441 ' OE1' ' C ' ' A' ' 9' ' ' SER . 5.4 mp0 -132.21 98.05 4.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.939 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -143.71 128.56 18.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.71 -44.07 12.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.093 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 104.9 74.37 0.96 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.481 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -93.24 163.93 13.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.766 0.317 . . . . 0.0 110.933 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 5.3 ttp -106.49 135.84 47.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.4 tttt -63.65 165.41 8.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.852 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 105.15 125.79 5.63 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.478 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.5 p -84.4 3.22 36.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.907 0.384 . . . . 0.0 110.902 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -104.44 147.34 27.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -112.79 35.69 3.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.557 ' O ' HG23 ' A' ' 25' ' ' VAL . 5.1 mp0 -97.94 -46.12 6.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.585 ' HG3' HG23 ' A' ' 56' ' ' ILE . 13.3 tt0 -72.21 -16.17 61.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.4 pttp -87.16 -33.97 19.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.905 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 47.5 tp -72.45 -35.73 68.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.634 HG22 ' CB ' ' A' ' 46' ' ' SER . 40.4 t -72.13 -50.28 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.57 ' CE1' ' HB3' ' A' ' 65' ' ' LEU . 57.0 t80 -53.13 -36.8 61.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -67.01 -35.72 80.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.639 HD13 ' CB ' ' A' ' 45' ' ' LYS . 49.0 mt -71.73 -29.15 33.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.141 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.533 HD13 HD13 ' A' ' 66' ' ' ILE . 84.3 mt -71.6 -47.07 59.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.132 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 31' ' ' ASP . 3.4 pt-20 -63.53 -29.46 70.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.917 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.433 ' N ' ' HG3' ' A' ' 30' ' ' GLU . 4.4 t0 -65.33 -36.79 85.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.648 ' HB1' ' O ' ' A' ' 36' ' ' GLY . . . -54.68 -38.98 67.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.113 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.65 -167.31 36.77 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.49 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -49.0 -45.23 42.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.917 0.389 . . . . 0.0 110.892 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 27.5 mttp -47.68 -39.87 18.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.648 ' O ' ' HB1' ' A' ' 32' ' ' ALA . . . 92.57 -171.2 33.16 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.48 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.582 HD13 HG22 ' A' ' 42' ' ' VAL . 15.4 tt -145.93 153.63 13.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.785 0.326 . . . . 0.0 111.134 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.56 ' CE3' ' HB2' ' A' ' 40' ' ' ARG . 2.2 t90 -89.31 135.91 33.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.426 ' HA ' HD11 ' A' ' 57' ' ' LEU . 4.6 t -41.73 -37.85 1.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.857 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.56 ' HB2' ' CE3' ' A' ' 38' ' ' TRP . 7.5 mpt_? -68.43 -60.45 2.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -38.73 -26.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.582 HG22 HD13 ' A' ' 37' ' ' ILE . 46.9 t -76.01 -52.95 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 42' ' ' VAL . 30.1 mtp180 -34.71 -45.02 0.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -70.34 -54.2 13.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.951 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.639 ' CB ' HD13 ' A' ' 28' ' ' ILE . 57.5 mmtt -58.06 -61.87 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.882 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.634 ' CB ' HG22 ' A' ' 25' ' ' VAL . 68.5 p -61.66 -10.5 8.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.833 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 51.4 t30 51.4 33.29 9.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.425 HD21 ' HG3' ' A' ' 21' ' ' GLN . 41.3 mt -119.1 155.48 53.24 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.635 0.731 . . . . 0.0 110.945 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.404 ' O ' HD13 ' A' ' 53' ' ' ILE . 54.2 Cg_endo -69.71 155.23 66.65 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.683 2.256 . . . . 0.0 112.388 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.432 HD13 ' C ' ' A' ' 50' ' ' LEU . 3.1 tm? -46.22 -51.15 14.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.4 t -51.92 -26.27 9.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.17 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.644 ' O ' HD12 ' A' ' 56' ' ' ILE . 33.5 mm-40 -86.91 -41.44 13.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.432 ' N ' HD12 ' A' ' 53' ' ' ILE . 1.7 mp -65.72 -31.88 55.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.174 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.428 HD21 HD21 ' A' ' 50' ' ' LEU . 1.1 m-80 -69.39 -52.72 24.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.928 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.481 ' HG3' ' N ' ' A' ' 56' ' ' ILE . 16.0 ptpt -65.73 -39.93 91.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.644 HD12 ' O ' ' A' ' 52' ' ' GLU . 23.0 mt -67.25 -55.63 16.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.161 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.525 HD13 ' CE1' ' A' ' 80' ' ' TYR . 28.5 mt -49.88 -40.07 41.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 59' ' ' ASN . 6.3 tptp -73.02 -59.89 2.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.888 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 58' ' ' LYS . 15.1 m-80 -35.02 -53.78 0.58 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 86.7 mt -53.96 -47.29 71.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.925 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.558 ' OE2' ' HB2' ' A' ' 68' ' ' ALA . 76.7 mt-10 -55.02 -15.79 2.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t -91.34 -27.43 18.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.5 mttm -87.5 14.02 9.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 53.4 mttt 57.41 30.56 18.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.57 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 35.0 mt -95.13 -40.35 9.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.533 HD13 HD13 ' A' ' 29' ' ' ILE . 31.7 pt -138.55 176.24 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.084 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.3 pttt -148.83 164.1 35.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.558 ' HB2' ' OE2' ' A' ' 61' ' ' GLU . . . -96.9 120.89 38.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.093 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 94.9 t -124.94 150.49 29.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.137 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.3 tttm -117.73 129.36 55.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.961 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 10.8 p -66.37 161.27 22.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.865 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.9 p -49.41 -34.65 8.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.104 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.79 136.7 50.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.09 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -89.28 43.78 1.17 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.8 m -105.76 141.25 37.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.1 tppt? -60.58 92.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 40.8 mtmt -143.66 179.97 6.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.906 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -155.87 108.77 2.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 5.9 t -100.16 146.52 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.171 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.525 ' CE1' HD13 ' A' ' 57' ' ' LEU . 90.5 m-85 -124.42 122.83 38.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.983 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.407 ' O ' ' C ' ' A' ' 82' ' ' LEU . 12.6 ptp -135.93 157.17 47.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.42 ' HB2' ' CD1' ' A' ' 85' ' ' LEU . 25.0 mt -37.5 149.86 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -83.47 -25.01 31.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -65.83 -36.72 84.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.937 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.42 ' CD1' ' HB2' ' A' ' 82' ' ' LEU . 14.6 mt -55.81 151.12 11.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 58.4 m -82.74 -33.9 27.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 89.91 -158.18 26.84 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.504 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 148.76 65.9 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.678 2.252 . . . . 0.0 112.402 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.8 m -107.95 174.11 6.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 31.8 m -85.69 172.06 11.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.837 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.475 -179.947 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -52.59 -44.95 66.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.891 0.377 . . . . 0.0 110.844 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.0 p -90.08 -56.7 3.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.56 -173.13 36.69 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.48 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.4 p -152.84 139.98 19.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.859 0.361 . . . . 0.0 110.876 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.6 p -78.43 -16.94 57.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.63 138.74 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.501 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -164.3 120.57 1.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.785 0.326 . . . . 0.0 110.864 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.9 t -92.98 44.28 1.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.85 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 41.2 mm-40 -94.48 120.03 34.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 34.4 t30 -173.04 173.26 3.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.842 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.488 ' HB3' ' HE3' ' A' ' 14' ' ' LYS . . . -55.25 -43.31 74.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.087 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 147.89 41.98 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.459 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.488 ' HE3' ' HB3' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -108.2 146.61 32.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.791 0.329 . . . . 0.0 110.866 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 16.5 mmm -84.11 55.36 3.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.4 mttt 50.52 46.71 25.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 110.93 177.19 20.55 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.469 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.3 t -70.74 100.65 1.92 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.876 0.369 . . . . 0.0 110.862 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -155.09 109.26 2.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.911 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -103.49 -24.49 13.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -57.58 -35.8 70.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -61.17 -17.12 51.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.458 ' HG2' ' N ' ' A' ' 24' ' ' LEU . 6.6 pttp -82.79 -34.45 27.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.458 ' N ' ' HG2' ' A' ' 23' ' ' LYS . 38.5 tp -76.6 -26.66 55.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.958 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.714 HG21 HD13 ' A' ' 56' ' ' ILE . 60.1 t -82.93 -32.41 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.163 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.418 ' CE1' ' HB3' ' A' ' 65' ' ' LEU . 37.6 t80 -70.88 -30.64 67.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.937 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -72.56 -24.43 61.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.972 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.599 HD12 ' HA ' ' A' ' 25' ' ' VAL . 29.9 mt -79.38 -42.56 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.089 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.564 HD13 HD13 ' A' ' 66' ' ' ILE . 42.7 mt -60.24 -42.2 89.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.136 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -68.95 -28.43 66.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -69.69 -33.69 72.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.695 ' HB1' ' O ' ' A' ' 36' ' ' GLY . . . -58.95 -36.83 75.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.096 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.74 -165.45 42.16 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.497 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.561 ' HA ' HD13 ' A' ' 85' ' ' LEU . 8.4 p-10 -47.64 -49.83 26.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.895 0.379 . . . . 0.0 110.942 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.5 mtpp -47.3 -31.4 3.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.695 ' O ' ' HB1' ' A' ' 32' ' ' ALA . . . 80.4 -167.75 50.93 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.472 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.577 HD13 HG22 ' A' ' 42' ' ' VAL . 17.3 tt -146.88 147.96 17.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.826 0.346 . . . . 0.0 111.109 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.451 ' O ' ' C ' ' A' ' 39' ' ' SER . 3.6 t90 -79.76 127.27 32.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.945 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.513 ' HA ' HD11 ' A' ' 57' ' ' LEU . 0.7 OUTLIER -34.5 -38.79 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 -179.785 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.426 ' O ' ' CE1' ' A' ' 44' ' ' TYR . 44.2 mtp180 -73.03 -49.54 28.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.864 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 38' ' ' TRP . 1.9 m-20 -45.14 -22.92 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.625 HG11 HG13 ' A' ' 25' ' ' VAL . 96.2 t -79.51 -47.28 22.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.4 mtm180 -37.67 -39.84 0.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.426 ' CE1' ' O ' ' A' ' 40' ' ' ARG . 1.1 m-85 -74.93 -58.47 3.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.969 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.69 -58.97 5.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.861 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.415 ' CB ' HG22 ' A' ' 25' ' ' VAL . 64.6 p -63.89 -20.17 65.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 61.58 29.48 18.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.409 ' HB2' HD11 ' A' ' 53' ' ' ILE . 74.4 mt -114.63 154.06 46.72 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.66 0.743 . . . . 0.0 110.906 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 156.0 64.6 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.681 2.254 . . . . 0.0 112.405 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.662 HD13 ' O ' ' A' ' 50' ' ' LEU . 1.4 tm? -45.19 -51.87 10.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.933 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.8 t -50.97 -27.95 8.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.132 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.513 ' O ' HD12 ' A' ' 56' ' ' ILE . 48.5 mm-40 -85.57 -41.18 15.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.409 HD11 ' HB2' ' A' ' 48' ' ' LEU . 1.7 mp -67.81 -30.73 49.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.553 ' ND2' HD11 ' A' ' 50' ' ' LEU . 12.3 m-20 -71.66 -49.36 40.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -69.46 -37.37 77.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.714 HD13 HG21 ' A' ' 25' ' ' VAL . 49.1 mt -70.1 -52.98 25.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.145 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.799 HD13 ' CE2' ' A' ' 80' ' ' TYR . 15.4 mt -51.56 -44.82 62.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 61' ' ' GLU . 0.4 OUTLIER -68.52 -60.88 2.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 179.845 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 58' ' ' LYS . 27.7 m-20 -35.1 -47.9 0.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 84.7 mt -59.28 -46.4 88.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.959 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 58' ' ' LYS . 26.6 mt-10 -55.84 -14.67 2.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 t -93.71 -26.2 17.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.6 mttm -90.2 15.9 9.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.878 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 52.8 mttt 54.73 33.22 19.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.418 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 39.4 mt -97.98 -41.28 8.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.564 HD13 HD13 ' A' ' 29' ' ' ILE . 19.1 pt -135.72 178.2 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.162 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 36.2 pttt -155.36 162.93 40.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.553 ' HB1' ' HD2' ' A' ' 78' ' ' LYS . . . -95.55 128.12 42.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.102 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.427 HG12 ' N ' ' A' ' 70' ' ' LYS . 75.8 t -124.75 153.63 31.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.133 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.427 ' N ' HG12 ' A' ' 69' ' ' VAL . 20.3 tptt -109.97 96.47 6.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 49.2 m -68.11 132.44 47.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.466 ' O ' HG13 ' A' ' 72' ' ' VAL . 6.0 p -39.1 116.21 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -171.35 175.52 4.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.145 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -97.43 -50.01 4.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.139 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.5 m -72.18 165.99 23.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.855 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 51.1 mmtt -84.37 131.93 34.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.911 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? -149.64 175.1 11.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.553 ' HD2' ' HB1' ' A' ' 68' ' ' ALA . 6.9 tppt? -144.67 106.83 4.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.907 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 24.1 t -100.09 132.09 46.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.155 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.799 ' CE2' HD13 ' A' ' 57' ' ' LEU . 78.8 m-85 -111.36 127.88 55.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 15.0 ptp -139.0 -178.75 5.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.887 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 16.6 mt -61.48 138.0 58.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.921 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -72.44 -17.92 61.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 -71.19 -39.39 71.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.931 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.561 HD13 ' HA ' ' A' ' 34' ' ' ASN . 43.9 mt -58.1 166.37 1.59 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 82.0 p -99.85 -14.47 18.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 91.16 -156.75 24.48 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.508 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 164.06 35.94 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.672 2.248 . . . . 0.0 112.363 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.2 t -77.88 -55.8 5.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.849 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 36.7 t -72.53 112.35 8.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.827 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.517 -179.991 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.9 p -163.79 122.41 1.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.844 0.354 . . . . 0.0 110.854 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.7 m -152.22 156.69 40.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.87 -170.51 40.19 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.495 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -166.89 137.45 3.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.865 0.364 . . . . 0.0 110.86 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.5 m -52.93 -46.79 68.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.849 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.21 -177.73 47.09 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.515 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -110.48 -54.28 2.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.82 0.343 . . . . 0.0 110.88 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.3 m -131.14 112.75 13.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.842 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -142.79 130.51 21.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 15.7 p-10 -174.83 147.36 0.99 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.71 -43.24 63.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 106.57 44.44 1.33 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.445 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.0 tttm -102.57 155.34 18.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.79 0.329 . . . . 0.0 110.874 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 16.7 ptm -39.71 138.7 0.71 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.0 tptt -162.41 122.98 2.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -151.61 47.47 0.57 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.444 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 m 41.39 46.01 2.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.87 0.367 . . . . 0.0 110.88 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -147.17 135.05 21.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -115.53 -18.88 10.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.664 ' O ' HG23 ' A' ' 25' ' ' VAL . 87.0 mt-30 -61.81 -44.58 96.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.9 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -70.46 -22.11 62.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.854 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.1 mttm -82.02 -40.39 22.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 58.5 tp -66.01 -30.78 71.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 21' ' ' GLN . 38.4 t -80.07 -38.92 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.097 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -65.75 -28.13 68.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -75.5 -28.45 59.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.866 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.56 HD13 ' CB ' ' A' ' 45' ' ' LYS . 43.8 mt -76.24 -42.73 37.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.1 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.748 HG23 ' O ' ' A' ' 80' ' ' TYR . 72.7 mt -61.21 -47.29 94.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.474 ' C ' ' CD ' ' A' ' 30' ' ' GLU . 0.5 OUTLIER -61.56 -29.49 70.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -69.5 -34.65 74.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.841 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.71 ' HB1' ' O ' ' A' ' 36' ' ' GLY . . . -55.88 -32.76 63.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.106 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.73 -174.65 44.74 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.524 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.411 ' O ' ' HE2' ' A' ' 81' ' ' MET . 5.5 p30 -47.71 -36.47 11.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.849 0.357 . . . . 0.0 110.891 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 36.7 mttm -53.48 -41.44 66.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.71 ' O ' ' HB1' ' A' ' 32' ' ' ALA . . . 96.64 -169.83 26.2 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.495 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.485 HD13 HG22 ' A' ' 42' ' ' VAL . 14.8 tt -147.21 151.03 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.855 0.36 . . . . 0.0 111.104 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.583 ' CZ3' ' HD3' ' A' ' 40' ' ' ARG . 3.7 t90 -87.57 130.5 34.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.962 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.544 ' HA ' HD11 ' A' ' 57' ' ' LEU . 1.4 t -34.57 -39.01 0.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.852 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.583 ' HD3' ' CZ3' ' A' ' 38' ' ' TRP . 31.4 mtp180 -64.31 -65.11 0.72 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 40' ' ' ARG . 0.9 OUTLIER -36.75 -29.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.5 ' N ' ' O ' ' A' ' 40' ' ' ARG . 96.3 t -71.54 -54.58 16.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.133 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.441 HH22 ' NE ' ' A' ' 40' ' ' ARG . 41.6 mtm-85 -35.73 -44.75 0.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -70.95 -57.9 4.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.96 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.56 ' CB ' HD13 ' A' ' 28' ' ' ILE . 42.9 mmtt -54.0 -61.28 2.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.91 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.65 ' HB2' HG22 ' A' ' 25' ' ' VAL . 58.5 p -62.41 -15.6 50.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 59.5 t30 56.24 27.69 12.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.429 ' HB3' ' CB ' ' A' ' 52' ' ' GLU . 63.7 mt -111.01 156.13 41.37 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.633 0.73 . . . . 0.0 110.936 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 161.27 46.57 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.682 2.255 . . . . 0.0 112.372 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.628 HD13 ' C ' ' A' ' 50' ' ' LEU . 3.0 tm? -49.17 -51.07 34.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.901 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.5 t -54.45 -24.26 19.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.645 ' O ' HD12 ' A' ' 56' ' ' ILE . 37.0 mm-40 -86.48 -42.38 13.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.405 HD12 ' N ' ' A' ' 53' ' ' ILE . 1.7 mp -68.23 -32.26 55.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.169 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -70.92 -51.43 26.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.0 ptmm? -64.94 -43.26 93.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.645 HD12 ' O ' ' A' ' 52' ' ' GLU . 34.7 mt -65.32 -57.9 9.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.134 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.621 HD13 ' CE1' ' A' ' 80' ' ' TYR . 22.2 mt -46.43 -33.32 3.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 61' ' ' GLU . 29.7 tttt -77.72 -59.23 2.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.832 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 58' ' ' LYS . 1.7 m-80 -36.85 -51.5 0.9 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.909 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.439 ' CB ' HG12 ' A' ' 66' ' ' ILE . 66.2 mt -61.13 -37.64 83.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.966 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 58' ' ' LYS . 34.3 mt-10 -66.01 -20.92 66.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.7 t -96.08 -29.73 13.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.901 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.5 mtpp -83.47 18.59 1.8 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.889 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 26.5 mttp 54.96 31.78 16.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.894 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 47.0 mt -99.44 -31.59 11.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.598 HD11 ' O ' ' A' ' 57' ' ' LEU . 20.7 pt -147.08 -177.47 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.138 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.433 ' HE3' ' CG2' ' A' ' 69' ' ' VAL . 34.2 pttt -159.17 164.59 35.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.493 ' HB2' ' OE2' ' A' ' 61' ' ' GLU . . . -95.95 124.81 40.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.098 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.433 ' CG2' ' HE3' ' A' ' 67' ' ' LYS . 40.7 t -126.92 151.25 33.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.5 tttt -128.93 97.3 4.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.1 t -60.74 163.63 5.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.824 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.2 p -57.11 -30.74 35.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.078 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -90.69 37.16 0.91 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.076 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -134.03 124.01 25.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.2 t -106.27 -60.03 1.71 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 15.0 tptp -128.28 66.13 1.38 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.958 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.1 mtmm -140.05 -175.7 4.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.4 tptt -151.02 104.98 3.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.94 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.408 ' CG1' ' HA3' ' A' ' 36' ' ' GLY . 19.6 t -95.5 136.75 25.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.112 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.748 ' O ' HG23 ' A' ' 29' ' ' ILE . 97.0 m-85 -117.62 116.24 26.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.926 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.411 ' HE2' ' O ' ' A' ' 34' ' ' ASN . 14.9 ptp -127.13 176.24 7.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.839 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 12.4 mt -56.6 142.53 39.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -77.59 -32.58 53.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -67.15 -27.29 67.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.858 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.1 mp -76.43 148.43 37.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.4 p -100.71 156.27 17.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -149.43 -158.38 8.09 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.484 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 146.63 61.24 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.684 2.256 . . . . 0.0 112.392 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 60.1 p -90.38 132.97 35.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.846 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.6 t -132.59 105.85 7.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.498 -179.98 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -164.76 177.44 7.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.859 0.361 . . . . 0.0 110.856 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.2 t -162.31 168.6 21.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.842 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.85 93.68 1.86 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.508 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.2 p -130.08 85.13 2.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.855 0.359 . . . . 0.0 110.828 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.3 p 43.66 41.55 3.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.85 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.93 96.25 0.17 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.517 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -147.76 129.48 15.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.838 0.351 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 t -119.93 121.58 39.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.41 ' O ' ' CG ' ' A' ' 11' ' ' ASN . 7.3 pt20 -83.49 120.94 26.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.929 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.41 ' CG ' ' O ' ' A' ' 10' ' ' GLN . 50.2 m-80 -167.58 125.25 1.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -93.08 -40.15 10.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.082 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 98.89 -61.34 0.82 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.549 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 15' ' ' MET . 33.7 mttp -116.55 162.38 17.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.729 0.3 . . . . 0.0 110.931 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.442 ' C ' ' O ' ' A' ' 14' ' ' LYS . 23.8 ttm -34.53 -58.03 0.5 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.853 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -174.11 138.74 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 63.98 -154.5 46.67 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.52 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 63.5 p -111.29 -55.33 2.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.889 0.376 . . . . 0.0 110.893 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -52.04 173.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.832 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -120.58 83.09 2.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -100.71 -61.07 1.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -56.77 -24.59 51.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 50.8 mttt -82.14 -52.22 7.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.432 HD21 ' O ' ' A' ' 46' ' ' SER . 39.3 tp -52.94 -36.42 59.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.54 HG13 HG11 ' A' ' 42' ' ' VAL . 91.4 t -74.42 -53.34 17.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.115 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.411 ' HA ' HD12 ' A' ' 29' ' ' ILE . 62.5 t80 -53.38 -35.5 60.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -68.75 -22.52 64.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.47 HD12 ' HA ' ' A' ' 25' ' ' VAL . 44.8 mt -86.3 -35.46 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.417 HD13 HD13 ' A' ' 66' ' ' ILE . 55.2 mt -64.2 -48.35 86.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.134 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.69 -26.73 68.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.902 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -67.61 -36.93 81.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.596 ' HB1' ' O ' ' A' ' 36' ' ' GLY . . . -53.86 -37.56 63.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.51 -159.56 23.25 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.482 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.03 -41.03 97.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.836 0.351 . . . . 0.0 110.837 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp -47.23 -49.65 22.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.596 ' O ' ' HB1' ' A' ' 32' ' ' ALA . . . 110.12 -171.52 14.93 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.438 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.0 tt -150.08 147.24 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.808 0.337 . . . . 0.0 111.111 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.513 ' CE3' ' HD2' ' A' ' 40' ' ' ARG . 4.9 t90 -87.09 134.29 33.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.573 ' HA ' HD11 ' A' ' 57' ' ' LEU . 57.6 p -38.69 -38.43 0.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.86 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.513 ' HD2' ' CE3' ' A' ' 38' ' ' TRP . 47.0 mtt-85 -65.44 -55.47 17.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -38.77 -33.76 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.54 HG11 HG13 ' A' ' 25' ' ' VAL . 43.4 t -67.94 -55.63 15.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 42' ' ' VAL . 18.5 mtp180 -34.11 -47.61 0.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -69.99 -60.97 1.97 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -54.07 -63.17 1.24 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.893 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.432 ' O ' HD21 ' A' ' 24' ' ' LEU . 77.7 p -57.58 -27.75 62.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 31.8 t-20 68.25 29.0 6.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.41 ' HB2' HD11 ' A' ' 53' ' ' ILE . 33.6 mt -115.21 157.43 43.73 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.627 0.727 . . . . 0.0 110.917 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 155.6 65.55 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.7 2.267 . . . . 0.0 112.338 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.671 HD13 ' O ' ' A' ' 50' ' ' LEU . 1.7 tm? -48.43 -45.85 36.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.945 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.4 t -56.55 -24.4 46.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.133 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.426 ' O ' HD12 ' A' ' 56' ' ' ILE . 40.1 mm-40 -87.98 -45.54 10.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.422 ' N ' HD12 ' A' ' 53' ' ' ILE . 1.8 mp -63.78 -35.03 71.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.126 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.572 ' ND2' HD11 ' A' ' 50' ' ' LEU . 15.0 m-20 -67.21 -52.67 38.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.449 ' HG3' ' N ' ' A' ' 56' ' ' ILE . 7.2 pttp -66.7 -34.75 78.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.449 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 48.5 mt -71.99 -54.23 17.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.092 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 1.098 HD13 ' CE2' ' A' ' 80' ' ' TYR . 17.8 mt -49.61 -45.05 47.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 59' ' ' ASN . 4.3 tptm -67.96 -59.12 3.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.966 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 58' ' ' LYS . 26.5 m-20 -35.25 -54.88 0.63 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.529 HD23 HD12 ' A' ' 65' ' ' LEU . 33.5 mt -54.35 -49.04 70.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.486 ' OE2' ' N ' ' A' ' 68' ' ' ALA . 36.3 mt-10 -52.38 -21.51 3.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.5 t -92.39 -26.71 17.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -85.79 14.18 6.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp 57.22 38.73 28.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.951 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.529 HD12 HD23 ' A' ' 60' ' ' LEU . 36.1 mt -108.41 -35.29 6.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.675 HD11 ' O ' ' A' ' 57' ' ' LEU . 19.1 pt -140.91 176.2 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.136 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 46.7 pttt -155.71 155.37 33.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.486 ' N ' ' OE2' ' A' ' 61' ' ' GLU . . . -85.59 132.68 34.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.051 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 53.9 t -126.39 147.19 31.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.088 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.6 tptt -112.31 95.26 5.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 91.5 p -74.3 145.86 43.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.5 ' O ' HG13 ' A' ' 72' ' ' VAL . 7.4 p -52.76 115.42 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.145 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -167.61 163.54 14.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.11 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -104.83 40.06 1.57 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.112 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.7 m -149.35 163.89 36.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp -93.89 130.0 40.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.939 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -169.08 163.74 11.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -122.18 100.18 6.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.921 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 25.3 t -87.59 138.62 18.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.171 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 1.098 ' CE2' HD13 ' A' ' 57' ' ' LEU . 94.5 m-85 -118.43 150.95 38.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.963 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 8.3 ptp -161.18 175.77 11.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.475 ' HB2' ' CD1' ' A' ' 85' ' ' LEU . 14.3 mt -59.52 139.15 57.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -73.75 -33.18 64.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -66.02 -40.17 90.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.856 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.475 ' CD1' ' HB2' ' A' ' 82' ' ' LEU . 94.7 mt -54.09 140.33 32.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.935 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.4 m -81.31 113.84 19.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.823 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -117.34 -158.76 11.19 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.491 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 110.82 2.65 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.697 2.264 . . . . 0.0 112.313 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 49.0 m -75.52 92.72 2.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.9 t -130.08 78.95 1.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.525 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.5 t -173.24 147.98 1.61 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.844 0.354 . . . . 0.0 110.877 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 t -165.41 175.97 8.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.27 152.9 6.24 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.518 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -165.49 175.06 9.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.87 0.367 . . . . 0.0 110.846 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.7 p -163.04 170.04 18.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.841 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.09 152.48 24.63 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -150.42 135.29 17.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.846 0.355 . . . . 0.0 110.851 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.4 p -153.07 111.62 3.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -155.31 159.93 40.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.924 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 -83.62 142.96 30.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -97.83 4.95 49.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.97 68.59 2.99 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.499 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.0 mmtt -107.81 149.41 28.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.79 0.328 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.446 ' O ' ' C ' ' A' ' 16' ' ' LYS . 5.6 tmm? -66.42 92.18 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.894 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.488 ' N ' ' HE2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -34.79 151.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 121.71 113.4 2.24 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.491 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 86.4 p -98.98 42.52 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.851 0.358 . . . . 0.0 110.826 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -123.78 149.94 45.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -102.58 -26.87 13.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.938 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.521 ' O ' HG23 ' A' ' 25' ' ' VAL . 27.0 mt-30 -63.47 -46.84 84.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -66.72 -19.83 65.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.9 mtpp -82.5 -57.97 3.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 38.7 tp -47.6 -34.22 7.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.755 HG13 HG11 ' A' ' 42' ' ' VAL . 59.2 t -75.13 -42.51 44.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.146 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.453 ' CE1' ' HB3' ' A' ' 65' ' ' LEU . 60.8 t80 -62.68 -34.03 76.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -70.89 -25.17 62.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 22.8 mt -82.58 -28.78 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.133 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.491 HD11 HD23 ' A' ' 57' ' ' LEU . 91.6 mt -72.57 -47.41 51.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.115 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -65.34 -23.83 67.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -69.2 -37.41 78.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.841 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.446 ' HB1' ' O ' ' A' ' 36' ' ' GLY . . . -57.75 -36.82 72.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.083 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.36 -165.53 37.42 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.478 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -51.19 -42.27 60.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.916 0.389 . . . . 0.0 110.883 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.3 ptpt -51.24 -19.95 1.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.882 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.446 ' O ' ' HB1' ' A' ' 32' ' ' ALA . . . 71.47 -177.12 37.37 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.51 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.475 ' O ' HG13 ' A' ' 79' ' ' VAL . 13.5 tt -141.05 154.77 21.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.779 0.323 . . . . 0.0 111.154 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.444 ' O ' ' N ' ' A' ' 40' ' ' ARG . 6.2 t90 -89.06 125.78 35.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 38' ' ' TRP . 1.5 t -35.38 -34.56 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 38' ' ' TRP . 15.4 mtp85 -67.53 -58.61 4.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -38.35 -31.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.755 HG11 HG13 ' A' ' 25' ' ' VAL . 21.6 t -69.55 -53.9 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.477 ' CZ ' ' HB3' ' A' ' 43' ' ' ARG . 7.1 mtp-105 -34.7 -45.45 0.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -72.58 -55.18 7.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 57.3 mmtt -57.11 -62.9 1.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.875 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.605 ' CB ' HG22 ' A' ' 25' ' ' VAL . 78.8 p -62.38 -9.52 8.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.843 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 27.4 m-20 50.06 34.97 9.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.8 mt -118.3 156.53 50.71 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.655 0.74 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 156.73 62.47 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.687 2.258 . . . . 0.0 112.324 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.539 HD13 ' C ' ' A' ' 50' ' ' LEU . 3.5 tm? -48.16 -47.35 35.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.859 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.1 t -56.33 -23.86 39.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.177 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.641 ' O ' HD12 ' A' ' 56' ' ' ILE . 36.8 mm-40 -87.42 -39.63 15.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.435 ' N ' HD12 ' A' ' 53' ' ' ILE . 1.7 mp -70.55 -31.23 45.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.187 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -72.88 -47.86 42.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.881 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.89 -35.97 72.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.641 HD12 ' O ' ' A' ' 52' ' ' GLU . 44.3 mt -72.01 -54.07 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.128 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.75 HD13 ' CE1' ' A' ' 80' ' ' TYR . 21.3 mt -50.22 -41.99 50.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.479 ' O ' ' N ' ' A' ' 61' ' ' GLU . 30.9 tttp -66.78 -62.78 1.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 58' ' ' LYS . 2.3 m-80 -35.05 -49.61 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.898 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.565 HD23 HD12 ' A' ' 65' ' ' LEU . 48.4 mt -59.15 -43.97 92.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.652 ' OE2' ' HB2' ' A' ' 68' ' ' ALA . 17.3 mt-10 -61.86 -15.37 41.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.8 t -96.41 -26.64 15.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.1 mttm -85.92 5.17 34.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm 69.19 25.55 5.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.565 HD12 HD23 ' A' ' 60' ' ' LEU . 18.9 mt -92.27 -31.69 15.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.93 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.405 HD13 HD13 ' A' ' 29' ' ' ILE . 35.0 pt -148.2 -177.87 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.7 pttp -153.43 165.36 36.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.652 ' HB2' ' OE2' ' A' ' 61' ' ' GLU . . . -98.8 124.77 43.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.451 ' CG1' ' N ' ' A' ' 70' ' ' LYS . 30.9 t -124.92 154.85 33.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.172 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.47 ' CE ' ' O ' ' A' ' 77' ' ' LYS . 3.5 tppp? -127.26 132.15 50.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.3 t -109.67 159.97 16.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.861 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.2 p -47.14 122.76 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.455 ' CB ' ' HE2' ' A' ' 77' ' ' LYS . . . -174.67 170.92 3.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.099 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.6 -73.22 0.42 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.115 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 41.4 p -57.73 -178.3 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -112.02 106.09 14.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.958 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.47 ' O ' ' CE ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -109.42 -175.88 2.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.882 179.897 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.56 105.44 4.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.906 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.475 HG13 ' O ' ' A' ' 37' ' ' ILE . 5.7 t -97.0 149.5 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.158 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.75 ' CE1' HD13 ' A' ' 57' ' ' LEU . 81.8 m-85 -124.34 146.47 48.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 10.9 ptp -158.61 172.65 17.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.833 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.478 ' HB2' HD13 ' A' ' 85' ' ' LEU . 29.9 mt -54.9 135.16 48.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -62.28 -40.55 96.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 66.3 m-20 -61.86 -36.18 80.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.478 HD13 ' HB2' ' A' ' 82' ' ' LEU . 10.0 mp -67.7 -175.46 0.53 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 51.8 m -154.37 164.18 39.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.817 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -159.31 -158.49 9.14 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.475 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 109.11 2.24 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.644 2.23 . . . . 0.0 112.327 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 90' ' ' SER . 9.8 m -71.19 -21.68 62.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 89' ' ' SER . 44.1 m 37.15 48.5 0.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.838 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.478 179.983 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.3 p -118.4 44.29 2.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.891 0.377 . . . . 0.0 110.843 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.2 p 39.03 43.55 0.8 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.82 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.64 79.07 0.72 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.457 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.1 t -108.09 125.04 51.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.848 0.356 . . . . 0.0 110.868 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.9 p -140.63 172.64 12.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.07 80.22 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.505 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.6 p-10 -131.77 167.58 19.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.797 0.332 . . . . 0.0 110.848 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.0 m -159.14 151.58 21.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 24.3 mp0 -71.09 127.15 31.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -133.27 82.79 2.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.7 -43.19 13.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.089 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 132.91 80.12 0.17 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.508 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.1 mmmt -75.74 125.29 28.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.759 0.314 . . . . 0.0 110.958 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 9.0 mmt -74.92 84.52 2.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.866 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -75.37 173.51 10.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 138.33 168.77 11.4 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.485 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.8 p -90.85 -17.34 26.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.857 0.36 . . . . 0.0 110.8 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -120.94 160.71 22.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 29.8 p30 -111.82 40.18 2.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.874 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.471 ' O ' HG23 ' A' ' 25' ' ' VAL . 85.0 mt-30 -97.45 -60.11 1.64 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -54.38 -15.73 1.82 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.7 pttp -91.78 -38.43 12.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 66.5 tp -66.31 -34.82 78.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.964 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.644 HG21 HG21 ' A' ' 56' ' ' ILE . 12.9 t -71.5 -51.34 33.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.113 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.475 ' CE1' ' HB3' ' A' ' 65' ' ' LEU . 71.2 t80 -57.27 -40.1 77.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.962 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.481 ' O ' ' NE2' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -59.65 -28.47 67.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.895 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.551 HD13 ' CB ' ' A' ' 45' ' ' LYS . 25.2 mt -82.49 -42.7 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.547 HD13 HD13 ' A' ' 66' ' ' ILE . 57.7 mt -58.44 -43.4 86.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.148 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.57 -28.27 67.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -67.99 -37.7 81.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.651 ' HB1' ' O ' ' A' ' 36' ' ' GLY . . . -55.32 -38.4 68.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.63 -172.57 41.0 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -46.39 -41.55 13.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.955 0.407 . . . . 0.0 110.905 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.9 mtmp? -50.18 -35.62 27.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.651 ' O ' ' HB1' ' A' ' 32' ' ' ALA . . . 89.08 -170.67 37.94 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.475 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.65 HD13 HG22 ' A' ' 42' ' ' VAL . 15.4 tt -149.85 150.1 14.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.82 0.343 . . . . 0.0 111.161 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.515 ' CZ3' ' HD3' ' A' ' 40' ' ' ARG . 11.6 t90 -80.99 128.66 33.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.8 t -38.35 -40.61 0.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.515 ' HD3' ' CZ3' ' A' ' 38' ' ' TRP . 21.9 ttt180 -67.87 -53.41 26.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.861 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -45.04 -28.97 0.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.65 HG22 HD13 ' A' ' 37' ' ' ILE . 48.4 t -72.1 -51.31 31.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 42' ' ' VAL . 22.2 mtm180 -35.82 -47.69 0.52 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.87 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -68.83 -44.66 72.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.551 ' CB ' HD13 ' A' ' 28' ' ' ILE . 32.7 mmtm -59.33 -59.06 6.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.923 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.9 m -73.07 -19.17 61.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 65.3 t30 64.97 32.03 10.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.533 ' HB2' HD11 ' A' ' 53' ' ' ILE . 38.1 mt -111.4 157.19 39.79 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.647 0.737 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 155.21 66.51 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.674 2.249 . . . . 0.0 112.331 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.685 HD13 ' O ' ' A' ' 50' ' ' LEU . 1.2 tm? -47.69 -47.31 29.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.3 t -54.02 -25.55 21.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.446 ' O ' HD12 ' A' ' 56' ' ' ILE . 43.9 mm-40 -86.79 -46.99 9.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.533 HD11 ' HB2' ' A' ' 48' ' ' LEU . 1.6 mp -63.78 -29.73 48.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.073 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.519 ' ND2' HD11 ' A' ' 50' ' ' LEU . 9.1 m-20 -73.94 -50.18 21.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -68.49 -37.21 79.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.644 HG21 HG21 ' A' ' 25' ' ' VAL . 43.6 mt -70.92 -55.46 14.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.133 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.677 ' O ' HD11 ' A' ' 66' ' ' ILE . 23.5 mt -46.06 -36.89 6.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 61' ' ' GLU . 7.5 tmtm? -78.56 -59.62 2.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 58' ' ' LYS . 28.0 m-20 -35.17 -47.84 0.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 50.3 mt -60.8 -47.64 85.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 58' ' ' LYS . 26.5 mt-10 -49.56 -20.11 0.7 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t -89.22 -27.86 20.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.839 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 28.1 mttt -86.45 15.56 5.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.835 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.0 mttm 54.46 30.11 12.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.876 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.475 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 39.3 mt -96.36 -34.94 11.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.677 HD11 ' O ' ' A' ' 57' ' ' LEU . 16.6 pt -142.99 173.28 6.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.148 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 43.9 pttt -151.22 164.32 36.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.687 ' HB1' ' HD2' ' A' ' 78' ' ' LYS . . . -97.01 125.28 41.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.059 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 69.9 t -126.91 150.86 33.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.0 tmtt? -111.54 132.71 54.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 77.3 p -115.91 134.75 54.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.838 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.415 ' O ' HG13 ' A' ' 72' ' ' VAL . 4.8 p -41.89 118.69 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.115 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -168.15 138.6 2.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.098 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.45 -45.19 62.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.2 t -95.55 128.05 42.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.822 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.5 mmtp -59.59 134.69 57.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 19.8 mtmt -144.7 158.56 43.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.893 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.687 ' HD2' ' HB1' ' A' ' 68' ' ' ALA . 0.0 OUTLIER -117.81 101.41 8.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.965 179.818 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 7.4 t -92.51 144.04 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.168 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.488 ' CE2' HD13 ' A' ' 57' ' ' LEU . 79.0 m-85 -122.19 125.47 46.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.971 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.437 ' O ' ' C ' ' A' ' 82' ' ' LEU . 13.3 ptp -139.63 153.01 47.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.525 HD13 HD13 ' A' ' 85' ' ' LEU . 10.6 mt -34.6 151.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -78.79 -42.88 26.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 56.6 m-20 -63.12 -36.12 82.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.525 HD13 HD13 ' A' ' 82' ' ' LEU . 11.0 mp -70.38 119.22 14.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 32.9 t -66.76 166.05 13.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -157.84 -176.43 29.88 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.482 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 1.93 3.99 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.683 2.255 . . . . 0.0 112.329 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.0 t -54.02 116.19 2.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.811 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.6 m -76.05 120.66 21.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.823 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.458 -179.965 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.8 p -160.42 135.93 8.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.863 0.363 . . . . 0.0 110.83 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -135.22 177.73 7.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.14 157.34 27.17 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.501 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -158.07 175.75 13.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.909 0.385 . . . . 0.0 110.835 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.8 p -134.68 155.06 51.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.881 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.19 171.44 38.52 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.469 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -160.56 153.76 21.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.827 0.346 . . . . 0.0 110.895 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.1 m -154.96 150.28 27.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -150.64 124.95 9.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -130.96 97.86 4.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -99.46 -44.14 6.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.112 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 91.63 98.44 1.29 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.48 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.7 ttpt -97.93 155.74 16.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.786 0.327 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.7 tmm? -87.84 98.16 11.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.8 mtpp -143.34 156.85 44.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -155.77 -170.2 20.9 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.512 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.5 m -71.29 -62.61 1.34 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.893 0.378 . . . . 0.0 110.843 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -86.97 148.48 25.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.401 ' O ' ' CB ' ' A' ' 24' ' ' LEU . 2.3 m120 -109.42 44.54 1.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.568 ' O ' HG23 ' A' ' 25' ' ' VAL . 44.4 mt-30 -93.64 -44.36 8.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -73.37 -26.25 60.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 24' ' ' LEU . 14.1 ptmt -88.83 -41.67 12.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.56 HD21 ' O ' ' A' ' 46' ' ' SER . 54.8 tp -59.16 -24.3 62.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.93 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 21' ' ' GLN . 95.4 t -87.06 -50.12 14.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.15 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.466 ' CE1' ' HB3' ' A' ' 65' ' ' LEU . 89.4 t80 -56.56 -35.03 67.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 -65.1 -34.93 79.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.467 HD12 ' O ' ' A' ' 24' ' ' LEU . 22.7 mt -77.33 -35.45 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.11 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.501 HD13 HD13 ' A' ' 66' ' ' ILE . 94.8 mt -63.77 -48.68 85.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.185 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -63.04 -31.9 73.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -62.82 -39.56 94.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.631 ' HB1' ' O ' ' A' ' 36' ' ' GLY . . . -53.5 -35.09 60.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.064 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.49 -178.54 47.51 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.528 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.437 ' HA ' HD23 ' A' ' 85' ' ' LEU . 0.7 OUTLIER -42.75 -37.27 1.7 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.922 0.391 . . . . 0.0 110.9 -179.894 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 45.5 mtmt -53.24 -41.17 65.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.631 ' O ' ' HB1' ' A' ' 32' ' ' ALA . . . 94.19 -173.01 32.56 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.519 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.422 ' HB ' ' HB2' ' A' ' 32' ' ' ALA . 14.0 tt -147.84 151.97 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.836 0.351 . . . . 0.0 111.072 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.576 ' CZ2' ' HG2' ' A' ' 77' ' ' LYS . 2.8 t90 -81.34 133.13 35.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.536 ' HA ' HD11 ' A' ' 57' ' ' LEU . 3.4 t -39.06 -45.08 1.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.556 ' HD3' ' CZ3' ' A' ' 38' ' ' TRP . 39.2 mtp180 -63.42 -59.84 4.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.873 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 40' ' ' ARG . 1.9 m-20 -34.81 -34.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.859 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.523 HG11 HG13 ' A' ' 25' ' ' VAL . 90.1 t -69.96 -52.82 27.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.139 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 42' ' ' VAL . 30.7 mtm180 -34.15 -46.76 0.26 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -70.45 -57.3 4.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.963 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.3 mmtm -51.51 -60.33 3.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.875 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.56 ' O ' HD21 ' A' ' 24' ' ' LEU . 1.8 m -63.58 -31.04 72.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.832 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 74.41 27.53 1.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.913 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 33.4 mt -111.38 157.73 38.23 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.568 0.699 . . . . 0.0 110.931 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 155.34 66.18 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.661 2.24 . . . . 0.0 112.366 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.728 HD13 ' O ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -48.93 -44.28 40.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.6 t -56.79 -24.55 51.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.176 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.657 ' O ' HD12 ' A' ' 56' ' ' ILE . 37.4 mm-40 -88.05 -42.8 12.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.402 HD12 ' N ' ' A' ' 53' ' ' ILE . 1.8 mp -67.04 -36.68 77.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.126 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.467 ' CG ' ' CD1' ' A' ' 50' ' ' LEU . 8.8 m-20 -65.56 -54.4 28.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.99 -43.54 98.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.657 HD12 ' O ' ' A' ' 52' ' ' GLU . 35.7 mt -64.45 -58.78 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.657 HD13 ' CE2' ' A' ' 80' ' ' TYR . 23.6 mt -43.5 -41.63 4.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 59' ' ' ASN . 0.8 OUTLIER -74.2 -61.81 1.73 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.847 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 58' ' ' LYS . 15.5 m-80 -35.11 -54.66 0.61 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 70.2 mt -51.55 -47.64 63.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.937 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.527 ' OE2' ' HB2' ' A' ' 68' ' ' ALA . 66.1 mt-10 -56.64 -18.33 11.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.81 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 t -89.22 -25.09 21.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.7 mttm -90.5 13.61 15.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 36.2 mmtp 59.75 30.26 19.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.466 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 36.1 mt -95.49 -37.02 11.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.501 HD13 HD13 ' A' ' 29' ' ' ILE . 36.8 pt -142.05 177.94 2.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.166 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 30.9 pttt -148.14 163.15 37.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.527 ' HB2' ' OE2' ' A' ' 61' ' ' GLU . . . -95.78 118.58 32.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.465 HG12 ' N ' ' A' ' 70' ' ' LYS . 57.2 t -126.97 155.59 37.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.465 ' N ' HG12 ' A' ' 69' ' ' VAL . 10.2 ttmt -128.11 109.33 11.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.8 m -60.61 150.86 30.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.1 p -45.26 -36.28 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.151 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -104.88 84.01 2.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.106 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -162.87 136.26 5.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 76' ' ' LYS . 3.3 m -127.15 137.02 52.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 75' ' ' SER . 4.5 mmmm 38.25 38.38 0.21 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.923 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.576 ' HG2' ' CZ2' ' A' ' 38' ' ' TRP . 37.1 mtpt -122.44 -175.24 3.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.71 113.38 2.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.89 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 17.3 t -94.75 144.51 9.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.159 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.657 ' CE2' HD13 ' A' ' 57' ' ' LEU . 88.5 m-85 -122.63 125.1 44.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 12.3 ptp -136.06 -179.96 5.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.875 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.659 HD13 HD13 ' A' ' 85' ' ' LEU . 9.7 mt -61.81 146.64 48.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -77.31 -54.77 6.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 43.8 t-20 -67.24 -40.29 86.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.851 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.659 HD13 HD13 ' A' ' 82' ' ' LEU . 1.6 tp -53.43 151.66 5.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.3 t -92.71 125.1 37.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.833 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -117.46 -157.91 10.88 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.53 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 113.78 3.5 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.679 2.253 . . . . 0.0 112.342 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 39.8 t -151.26 150.17 30.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 29.2 t -61.72 -55.45 30.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.849 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.511 -179.972 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.393 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.5 t -85.75 -53.15 5.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.827 0.346 . . . . 0.0 110.896 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.6 m -78.48 167.92 20.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.902 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.28 56.4 0.52 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -57.13 169.15 0.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.869 0.366 . . . . 0.0 110.896 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.3 p -42.2 129.46 3.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.867 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.71 -85.94 0.15 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.47 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -134.12 157.28 46.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.794 0.33 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.2 m -76.97 -178.38 4.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -101.89 -27.97 12.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -172.24 118.85 0.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.24 -43.11 16.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 124.57 92.66 0.97 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.469 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.4 ttmt -110.35 142.66 41.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.72 0.295 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 6.2 ptm -57.14 132.27 52.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -128.26 102.46 6.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -97.12 110.18 3.99 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.502 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.3 p -44.47 -29.57 0.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.906 0.384 . . . . 0.0 110.866 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -101.05 152.74 20.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -95.83 -33.16 12.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.661 ' O ' HG23 ' A' ' 25' ' ' VAL . 18.0 mp0 -48.6 -51.48 27.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -60.25 -27.23 67.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.5 mtpt -78.11 -57.63 3.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 41.2 tp -51.64 -28.58 14.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 21' ' ' GLN . 84.7 t -80.8 -43.69 21.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.155 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.442 ' CE1' ' HB3' ' A' ' 65' ' ' LEU . 45.2 t80 -62.88 -26.02 68.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.451 ' NE2' ' OE1' ' A' ' 30' ' ' GLU . 9.7 mm-40 -81.3 -27.11 35.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 37.0 mt -76.18 -30.34 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.592 HD11 ' CD2' ' A' ' 57' ' ' LEU . 70.1 mt -73.45 -42.73 56.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.165 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.451 ' OE1' ' NE2' ' A' ' 27' ' ' GLN . 7.1 pt-20 -68.04 -22.8 64.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -73.36 -40.26 64.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.934 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.439 ' HB1' ' O ' ' A' ' 36' ' ' GLY . . . -53.44 -29.45 35.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.104 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 85.48 -173.39 47.78 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.529 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.651 ' ND2' HD23 ' A' ' 85' ' ' LEU . 3.6 m120 -51.5 -35.64 41.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.861 0.362 . . . . 0.0 110.839 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.6 mtmm -52.21 -28.66 19.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.439 ' O ' ' HB1' ' A' ' 32' ' ' ALA . . . 84.21 -176.67 51.71 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.456 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.537 HD13 HG22 ' A' ' 42' ' ' VAL . 9.7 tt -145.42 149.33 16.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 0.0 111.143 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.545 ' CE3' ' HB2' ' A' ' 40' ' ' ARG . 5.6 t90 -81.71 131.71 35.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 38' ' ' TRP . 83.5 p -37.13 -46.58 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.862 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.545 ' HB2' ' CE3' ' A' ' 38' ' ' TRP . 28.9 mtp180 -61.37 -56.11 23.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.449 ' HB3' ' CG1' ' A' ' 37' ' ' ILE . 2.6 t70 -39.11 -29.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.541 HG11 HG13 ' A' ' 25' ' ' VAL . 23.8 t -72.43 -50.34 35.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.488 ' HD2' ' CD2' ' A' ' 50' ' ' LEU . 8.0 mtp-105 -37.91 -47.04 1.02 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -67.92 -54.84 15.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.948 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.9 mmtt -55.42 -62.97 1.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.929 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.484 ' CB ' HG22 ' A' ' 25' ' ' VAL . 92.1 p -63.49 -19.62 64.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.818 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 51.4 t30 62.79 27.49 16.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.471 HD11 ' CG ' ' A' ' 21' ' ' GLN . 49.5 mt -112.13 156.51 41.82 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.62 0.724 . . . . 0.0 110.901 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 157.45 60.35 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.703 2.269 . . . . 0.0 112.39 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.59 HD13 ' O ' ' A' ' 50' ' ' LEU . 0.4 OUTLIER -48.13 -48.34 34.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.875 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.4 t -53.5 -25.17 15.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.215 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.427 ' O ' HD12 ' A' ' 56' ' ' ILE . 13.9 mm-40 -87.43 -48.94 7.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.415 ' N ' HD12 ' A' ' 53' ' ' ILE . 1.7 mp -61.15 -33.71 57.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.446 ' CG ' ' CD1' ' A' ' 50' ' ' LEU . 11.3 m-20 -68.6 -53.47 22.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.442 ' HG3' ' N ' ' A' ' 56' ' ' ILE . 17.5 ptpt -65.78 -38.23 88.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.442 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 33.8 mt -68.64 -54.13 22.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.112 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.623 HD13 ' CE1' ' A' ' 80' ' ' TYR . 15.7 mt -51.93 -32.45 33.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.489 ' CE ' ' OE1' ' A' ' 61' ' ' GLU . 1.0 OUTLIER -78.46 -58.95 2.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.839 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -37.81 -41.48 0.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.7 mt -66.99 -46.9 73.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.931 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.499 ' OE2' ' N ' ' A' ' 68' ' ' ALA . 36.0 mt-10 -55.84 -17.69 6.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t -92.48 -29.49 16.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.9 mttm -86.64 14.97 6.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.7 mmtp 56.76 26.56 11.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.894 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.442 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 42.3 mt -90.81 -32.63 16.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.881 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.451 HD11 ' O ' ' A' ' 57' ' ' LEU . 21.2 pt -145.99 -175.71 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.163 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.4 pttt -158.33 162.33 37.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.499 ' N ' ' OE2' ' A' ' 61' ' ' GLU . . . -100.19 125.94 46.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.079 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 77.4 t -123.49 98.0 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.083 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.46 ' HZ1' ' HB3' ' A' ' 73' ' ' ALA . 2.4 tmtm? -84.41 94.06 8.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 73' ' ' ALA . 1.3 t -85.97 167.03 15.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.601 ' O ' HG13 ' A' ' 72' ' ' VAL . 6.8 p -40.45 95.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.108 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.46 ' HB3' ' HZ1' ' A' ' 70' ' ' LYS . . . -166.89 -176.74 3.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.088 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.86 133.31 51.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.086 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.0 m -59.74 -20.19 54.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.837 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -92.84 55.24 2.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.434 ' CE ' ' HB1' ' A' ' 73' ' ' ALA . 43.2 mtmt -156.03 171.62 19.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.968 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -161.1 121.18 2.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.857 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 10.2 t -100.75 143.38 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.086 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.623 ' CE1' HD13 ' A' ' 57' ' ' LEU . 76.4 m-85 -124.91 141.16 52.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.941 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 19.2 ptp -152.11 174.92 13.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.478 ' CB ' HD13 ' A' ' 85' ' ' LEU . 17.9 mt -56.84 137.84 54.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -66.19 -39.3 89.6 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 21.3 t30 -64.73 -30.76 71.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.651 HD23 ' ND2' ' A' ' 34' ' ' ASN . 10.7 mp -79.86 138.96 37.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 51.0 m -103.1 146.95 27.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -119.19 -164.24 12.67 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.465 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 172.51 12.49 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.706 2.271 . . . . 0.0 112.339 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 51.8 p -73.72 98.99 3.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 80.2 p -110.21 112.12 23.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.881 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.465 -179.965 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.5 m -92.37 -60.2 1.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.868 0.366 . . . . 0.0 110.842 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.4 p -81.08 122.89 27.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.847 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.22 -174.76 15.02 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.482 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.6 p -166.52 172.93 10.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.88 0.371 . . . . 0.0 110.825 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.4 p -170.52 171.39 6.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.822 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.66 -179.01 52.79 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.515 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 63.62 46.52 4.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.794 0.33 . . . . 0.0 110.85 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.2 m -109.7 -49.97 3.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.838 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -133.68 137.07 45.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -116.64 82.67 1.83 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.78 -38.84 16.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.084 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 128.09 -113.39 1.63 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.437 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -120.61 107.82 13.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.806 0.336 . . . . 0.0 110.889 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.9 mmt -148.74 146.1 27.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.882 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.7 mmmm -55.63 109.31 0.54 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 60.68 -175.69 4.64 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 68.2 m -93.12 77.44 4.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.874 0.368 . . . . 0.0 110.83 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -153.65 144.26 22.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.873 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.455 ' CB ' ' HD3' ' A' ' 23' ' ' LYS . 3.4 p-10 -110.02 47.66 0.94 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.562 ' O ' HG23 ' A' ' 25' ' ' VAL . 2.9 mp0 -98.8 -49.95 4.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.919 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -70.02 -17.32 63.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.462 ' HG3' ' N ' ' A' ' 24' ' ' LEU . 15.8 ptmt -92.02 -44.27 8.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.462 ' N ' ' HG3' ' A' ' 23' ' ' LYS . 48.2 tp -58.05 -31.2 66.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.602 HG13 HG11 ' A' ' 42' ' ' VAL . 59.2 t -78.31 -41.44 26.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.535 ' CE1' ' HB3' ' A' ' 65' ' ' LEU . 52.8 t80 -60.51 -35.58 76.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -67.5 -31.91 72.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.539 HD13 ' HB2' ' A' ' 45' ' ' LYS . 39.6 mt -73.74 -38.87 52.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.117 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.628 HD13 HD13 ' A' ' 66' ' ' ILE . 74.1 mt -63.81 -55.23 23.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.33 -24.73 60.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -69.79 -37.87 76.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.546 ' HB1' ' O ' ' A' ' 36' ' ' GLY . . . -55.91 -39.26 71.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.55 -173.61 40.56 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.479 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.442 ' O ' ' HE1' ' A' ' 81' ' ' MET . 1.7 m120 -43.06 -47.62 5.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.88 0.371 . . . . 0.0 110.88 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 56.2 mttm -45.29 -39.89 7.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.546 ' O ' ' HB1' ' A' ' 32' ' ' ALA . . . 92.66 -174.37 36.18 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.515 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.432 ' HB ' ' HB2' ' A' ' 32' ' ' ALA . 14.4 tt -144.32 154.31 15.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.818 0.342 . . . . 0.0 111.12 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.545 ' CZ3' ' HD2' ' A' ' 40' ' ' ARG . 6.1 t90 -88.03 129.64 35.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 38' ' ' TRP . 1.9 t -34.91 -46.0 0.29 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.545 ' HD2' ' CZ3' ' A' ' 38' ' ' TRP . 78.0 mtt-85 -60.39 -60.31 4.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 40' ' ' ARG . 10.4 t0 -36.64 -31.43 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.602 HG11 HG13 ' A' ' 25' ' ' VAL . 93.4 t -70.96 -54.07 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.084 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 42' ' ' VAL . 13.4 mtm105 -35.47 -49.39 0.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -64.94 -53.76 41.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.966 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.539 ' HB2' HD13 ' A' ' 28' ' ' ILE . 59.2 mmtt -56.73 -63.12 1.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.912 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.442 ' CB ' HG22 ' A' ' 25' ' ' VAL . 91.8 p -62.04 -25.89 67.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.885 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 68.56 28.9 5.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.5 ' HB2' HD11 ' A' ' 53' ' ' ILE . 50.8 mt -112.14 156.6 41.7 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.623 0.725 . . . . 0.0 110.87 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 158.19 57.74 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.703 2.269 . . . . 0.0 112.31 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.667 HD13 ' C ' ' A' ' 50' ' ' LEU . 3.2 tm? -49.2 -46.27 45.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.941 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.6 t -55.9 -22.48 26.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.101 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.466 ' O ' HD12 ' A' ' 56' ' ' ILE . 39.8 mm-40 -89.83 -47.13 8.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.5 HD11 ' HB2' ' A' ' 48' ' ' LEU . 1.7 mp -64.63 -25.2 37.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.169 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.579 ' ND2' HD11 ' A' ' 50' ' ' LEU . 9.3 m-20 -75.13 -52.18 11.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 56' ' ' ILE . 9.2 pttp -67.92 -35.52 78.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.467 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 43.3 mt -71.73 -54.47 16.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.13 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.514 ' O ' HD11 ' A' ' 66' ' ' ILE . 26.0 mt -48.58 -44.71 37.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.893 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' A' ' 61' ' ' GLU . 34.6 tttp -71.55 -62.36 1.44 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 55' ' ' LYS . 2.1 m-80 -35.04 -44.39 0.23 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 71.0 mt -62.71 -45.35 93.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.65 ' OE2' ' HB2' ' A' ' 68' ' ' ALA . 47.5 mt-10 -56.98 -19.32 17.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 t -88.85 -28.3 20.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.824 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.9 mttm -86.13 14.44 6.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 33.2 mmtm 57.32 29.45 16.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.911 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.535 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 20.8 mt -93.76 -39.78 10.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.628 HD13 HD13 ' A' ' 29' ' ' ILE . 24.5 pt -138.81 -177.29 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.156 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.412 ' CD ' ' HA ' ' A' ' 83' ' ' TYR . 1.5 ptmt -152.2 169.42 22.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.65 ' HB2' ' OE2' ' A' ' 61' ' ' GLU . . . -108.76 121.54 45.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.132 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 97.1 t -125.37 146.4 31.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.087 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.4 ' NZ ' ' HE3' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -111.29 115.97 30.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.846 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 80.9 p -86.73 142.96 27.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.6 p -53.18 124.07 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.093 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -173.27 170.54 4.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.081 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -96.15 41.32 1.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.097 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.407 ' CB ' ' HD2' ' A' ' 77' ' ' LYS . 17.9 m -151.14 -179.0 6.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.877 -179.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.4 ' HE3' ' NZ ' ' A' ' 70' ' ' LYS . 0.6 OUTLIER -122.97 79.11 1.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.911 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.459 ' HB3' ' NE1' ' A' ' 38' ' ' TRP . 1.0 OUTLIER -104.34 176.15 5.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.858 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -131.18 106.12 8.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 10.4 t -94.77 144.09 10.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.103 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.511 ' CE1' HD13 ' A' ' 57' ' ' LEU . 95.5 m-85 -126.16 149.23 49.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.978 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.442 ' HE1' ' O ' ' A' ' 34' ' ' ASN . 10.6 ptp -162.83 170.26 18.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.7 mt -48.19 142.44 5.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.418 ' N ' ' HA ' ' A' ' 66' ' ' ILE . 55.7 t80 -67.65 -43.34 80.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -60.93 -35.84 77.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.8 mp -70.46 144.44 51.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 64.5 m -88.04 -52.42 5.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 103.88 -158.13 17.08 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.464 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 84.57 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.66 2.24 . . . . 0.0 112.35 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.5 t -65.29 123.86 20.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.7 m -129.14 82.35 2.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.471 -179.982 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 t -110.68 -59.56 1.94 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.91 0.386 . . . . 0.0 110.83 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t 65.56 41.91 3.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.832 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.41 159.24 15.06 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.47 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.4 m -136.61 171.62 14.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.884 0.373 . . . . 0.0 110.842 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -141.78 162.98 34.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.69 133.5 1.49 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.508 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -128.68 157.65 40.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.773 0.32 . . . . 0.0 110.859 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.5 m -128.96 153.31 47.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -103.55 -44.94 4.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.935 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -99.95 91.17 4.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -103.0 -42.26 5.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 74.81 -59.03 2.6 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.45 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.5 tmmm? -81.32 129.57 34.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.792 0.329 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 5.1 ppp? -113.03 150.62 31.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.23 164.75 19.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.86 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -163.63 112.19 0.5 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.518 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 95.1 p -85.99 -32.28 21.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.867 0.365 . . . . 0.0 110.851 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.7 152.76 23.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -81.2 -36.99 29.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.761 ' O ' HG23 ' A' ' 25' ' ' VAL . 90.7 mt-30 -41.54 -54.23 3.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.471 ' OE1' HD21 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -58.05 -33.42 69.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.9 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.2 mtpp -73.3 -61.02 1.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 51.3 tp -44.78 -38.94 4.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.818 HG21 HD13 ' A' ' 56' ' ' ILE . 47.6 t -68.92 -52.45 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.464 ' HA ' HD12 ' A' ' 29' ' ' ILE . 59.4 t80 -56.87 -31.68 65.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.426 ' NE2' ' HA ' ' A' ' 27' ' ' GLN . 11.3 mm100 -71.62 -30.47 65.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.902 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.631 HG21 ' CB ' ' A' ' 45' ' ' LYS . 43.4 mt -77.81 -32.25 17.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.155 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.542 HD13 HD13 ' A' ' 66' ' ' ILE . 52.8 mt -68.31 -53.3 29.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.136 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -56.64 -31.66 64.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.865 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -66.04 -34.34 77.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.894 ' HB1' ' O ' ' A' ' 36' ' ' GLY . . . -53.47 -37.14 62.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.158 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 84.22 -175.04 51.18 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.462 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -42.27 -44.68 3.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.873 0.368 . . . . 0.0 110.888 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 19.5 mtpt -47.98 -39.7 20.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.894 ' O ' ' HB1' ' A' ' 32' ' ' ALA . . . 94.95 -165.93 25.8 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.474 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.498 ' HB ' ' HB2' ' A' ' 32' ' ' ALA . 20.6 tt -153.11 139.93 12.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.835 0.35 . . . . 0.0 111.082 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.581 ' CZ3' ' HD3' ' A' ' 40' ' ' ARG . 1.0 OUTLIER -81.05 130.23 34.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.904 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.541 ' HA ' HD11 ' A' ' 57' ' ' LEU . 7.7 t -34.74 -42.65 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.841 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.581 ' HD3' ' CZ3' ' A' ' 38' ' ' TRP . 27.1 mtp85 -57.26 -55.84 29.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -40.85 -39.42 1.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.581 ' CG1' HG13 ' A' ' 25' ' ' VAL . 40.9 t -60.37 -53.47 48.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.153 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -38.16 -41.61 0.61 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.841 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -80.65 -57.47 3.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.972 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.631 ' CB ' HG21 ' A' ' 28' ' ' ILE . 50.8 mmtt -51.04 -60.78 2.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.865 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.499 ' CB ' HG22 ' A' ' 25' ' ' VAL . 17.5 m -69.44 -20.53 63.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 17.9 m120 64.8 28.69 12.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.469 HD13 ' CD1' ' A' ' 56' ' ' ILE . 19.8 mt -108.74 157.97 35.31 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.621 0.724 . . . . 0.0 110.876 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 155.19 66.73 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.672 2.248 . . . . 0.0 112.369 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.747 HD13 ' O ' ' A' ' 50' ' ' LEU . 2.2 tm? -46.98 -47.03 21.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.883 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 15.3 t -58.21 -25.87 62.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.587 ' O ' HD12 ' A' ' 56' ' ' ILE . 27.5 mm-40 -84.59 -40.59 17.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.8 mp -67.29 -34.0 66.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.154 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -68.72 -50.29 51.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 56' ' ' ILE . 17.9 ptpt -64.99 -42.5 94.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.818 HD13 HG21 ' A' ' 25' ' ' VAL . 29.7 mt -65.54 -58.32 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.159 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.747 HD13 ' CE1' ' A' ' 80' ' ' TYR . 33.5 mt -47.3 -39.39 14.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 59' ' ' ASN . 27.7 ttpt -75.68 -60.7 2.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 58' ' ' LYS . 15.0 m-80 -36.15 -47.99 0.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.912 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.471 HD21 ' OE1' ' A' ' 22' ' ' GLU . 65.0 mt -61.8 -48.28 81.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.601 ' OE2' ' HB2' ' A' ' 68' ' ' ALA . 7.7 mt-10 -51.12 -19.11 1.02 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.94 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 t -91.25 -33.78 15.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.839 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.6 mttp -79.93 12.08 2.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.3 mmmt 59.66 29.53 19.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 75.1 mt -94.28 -35.97 12.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.542 HD13 HD13 ' A' ' 29' ' ' ILE . 33.3 pt -144.08 -178.01 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.137 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.4 pttp -151.24 162.45 40.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.975 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.601 ' HB2' ' OE2' ' A' ' 61' ' ' GLU . . . -98.52 127.89 44.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.126 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.443 HG12 ' N ' ' A' ' 70' ' ' LYS . 84.3 t -126.87 154.67 37.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.146 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.443 ' N ' HG12 ' A' ' 69' ' ' VAL . 0.6 OUTLIER -125.59 121.12 32.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.91 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.8 160.65 27.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.852 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.9 p -50.58 -31.26 9.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.121 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.35 127.8 23.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.033 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.34 99.98 11.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.121 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.2 t -172.57 159.5 4.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 45.3 mmtt -72.35 78.84 1.01 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.67 150.78 49.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -130.68 107.08 8.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 31.5 t -98.91 152.52 4.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.153 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.747 ' CE1' HD13 ' A' ' 57' ' ' LEU . 49.8 m-85 -134.4 149.13 50.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 10.1 ptp -159.74 175.03 13.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.892 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.476 ' HB2' ' CD1' ' A' ' 85' ' ' LEU . 14.4 mt -54.65 138.01 42.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -72.2 -27.49 62.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 31.7 m120 -65.34 -38.13 89.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.854 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.476 ' CD1' ' HB2' ' A' ' 82' ' ' LEU . 27.3 mt -61.12 164.01 5.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.7 t -97.23 161.42 13.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -116.92 175.12 15.55 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.505 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -3.48 12.1 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.676 2.251 . . . . 0.0 112.328 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 32.5 t -48.04 99.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.814 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 16.6 m -81.7 112.69 19.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.498 -179.96 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.1 p -164.45 167.77 19.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.888 0.375 . . . . 0.0 110.876 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 t -171.14 127.93 0.71 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.46 155.12 24.72 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.432 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.9 p -167.94 107.31 0.53 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.887 0.375 . . . . 0.0 110.85 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.3 p -54.84 172.66 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.856 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.57 45.55 1.25 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.477 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -98.14 150.45 21.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.867 0.365 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.2 t 63.52 43.41 5.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 11' ' ' ASN . 24.9 tt0 -87.88 104.18 16.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.893 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 10' ' ' GLN . 11.8 m-80 36.9 42.38 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.46 -43.49 55.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 112.32 42.02 1.01 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.487 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.3 tptt -116.56 147.75 41.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.746 0.308 . . . . 0.0 110.865 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.0 mmt -44.0 142.14 1.47 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.7 mmmm -97.16 116.96 30.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.946 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 159.34 -167.9 35.14 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.463 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 58.1 m -116.42 -56.5 2.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.894 0.378 . . . . 0.0 110.86 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.5 169.12 18.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -113.9 39.72 2.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.566 ' O ' HG23 ' A' ' 25' ' ' VAL . 84.2 mt-30 -99.19 -41.02 7.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.947 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -67.6 -24.12 65.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.448 ' HG3' ' N ' ' A' ' 24' ' ' LEU . 20.2 pttt -81.74 -34.29 30.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.448 ' N ' ' HG3' ' A' ' 23' ' ' LYS . 60.0 tp -72.22 -32.29 66.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.695 HG13 HG11 ' A' ' 42' ' ' VAL . 58.8 t -75.43 -44.87 41.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -59.16 -38.55 80.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.957 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.402 ' NE2' ' O ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -62.32 -38.12 88.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.937 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.435 HD13 ' HB2' ' A' ' 45' ' ' LYS . 20.1 mt -71.56 -35.01 54.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.169 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 92.9 mt -63.64 -48.93 84.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.098 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -63.89 -24.83 67.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -69.75 -38.08 76.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.574 ' HB1' ' O ' ' A' ' 36' ' ' GLY . . . -53.14 -38.14 62.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.084 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.54 -179.84 41.95 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.485 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.48 ' O ' ' CE ' ' A' ' 81' ' ' MET . 5.7 t-20 -45.14 -35.45 3.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.884 0.373 . . . . 0.0 110.851 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 27.2 mmtp -51.42 -45.2 62.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.574 ' O ' ' HB1' ' A' ' 32' ' ' ALA . . . 104.09 -175.24 22.9 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.445 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.527 ' O ' HG13 ' A' ' 79' ' ' VAL . 17.2 tt -148.12 151.81 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.842 0.353 . . . . 0.0 111.166 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.474 ' NE1' ' HB2' ' A' ' 77' ' ' LYS . 9.3 t90 -92.29 128.01 37.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.428 ' HA ' HD11 ' A' ' 57' ' ' LEU . 76.2 p -38.94 -38.9 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.431 ' O ' ' CE2' ' A' ' 44' ' ' TYR . 34.7 ttm-85 -62.24 -41.57 98.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 38' ' ' TRP . 5.5 t70 -59.13 -42.44 90.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.695 HG11 HG13 ' A' ' 25' ' ' VAL . 54.6 t -58.1 -49.96 79.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.159 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.479 ' CZ ' ' HB3' ' A' ' 43' ' ' ARG . 6.8 mtp-105 -35.2 -45.75 0.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.431 ' CE2' ' O ' ' A' ' 40' ' ' ARG . 4.4 m-85 -74.08 -55.83 5.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.435 ' HB2' HD13 ' A' ' 28' ' ' ILE . 0.7 OUTLIER -55.1 -63.17 1.24 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.898 179.914 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.547 ' CB ' HG22 ' A' ' 25' ' ' VAL . 78.2 p -60.92 -15.64 33.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 51.8 t30 56.2 36.07 26.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.931 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.534 HD11 ' HB3' ' A' ' 21' ' ' GLN . 28.1 mt -120.26 157.62 52.97 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.559 0.695 . . . . 0.0 110.953 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 155.78 65.11 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.681 2.254 . . . . 0.0 112.351 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.623 HD13 ' C ' ' A' ' 50' ' ' LEU . 3.0 tm? -47.48 -47.48 27.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.922 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.8 t -57.08 -24.73 56.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.164 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.503 ' O ' HD12 ' A' ' 56' ' ' ILE . 26.7 mm-40 -86.03 -40.95 15.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.7 mp -67.09 -33.16 61.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.147 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -68.92 -54.85 13.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.3 ptmm? -63.47 -37.6 87.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.921 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.591 HD13 HG21 ' A' ' 25' ' ' VAL . 59.2 mt -69.64 -55.22 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.539 ' O ' HD11 ' A' ' 66' ' ' ILE . 41.6 mt -51.79 -36.31 47.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 59' ' ' ASN . 25.2 ttpt -71.92 -61.85 1.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.43 ' C ' ' O ' ' A' ' 58' ' ' LYS . 16.3 m-20 -35.05 -55.18 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.463 ' CB ' HG12 ' A' ' 66' ' ' ILE . 25.7 mt -55.9 -45.74 78.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.938 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 58' ' ' LYS . 54.7 mt-10 -58.2 -23.74 56.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.919 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.0 t -95.07 -24.73 16.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.4 mtpp -88.48 20.17 3.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.944 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.7 mmtt 52.42 44.0 30.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.463 HD12 HD23 ' A' ' 60' ' ' LEU . 70.8 mt -113.65 -31.74 6.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.933 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.539 HD11 ' O ' ' A' ' 57' ' ' LEU . 34.0 pt -147.54 -176.79 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.166 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 43.1 pttt -156.93 166.03 34.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -94.59 127.99 40.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.103 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.465 HG12 ' N ' ' A' ' 70' ' ' LYS . 72.7 t -125.23 156.17 34.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.084 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.465 ' N ' HG12 ' A' ' 69' ' ' VAL . 5.0 tppp? -122.77 141.27 52.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -105.59 167.32 9.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.441 ' O ' ' C ' ' A' ' 73' ' ' ALA . 9.9 p -68.17 -33.27 59.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.148 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 72' ' ' VAL . . . -33.51 -70.31 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.102 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -161.01 173.15 15.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.115 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 92.8 p -114.48 45.03 1.61 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.817 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.7 mmtm -126.44 48.0 2.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.474 ' HB2' ' NE1' ' A' ' 38' ' ' TRP . 0.4 OUTLIER -169.87 174.65 5.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.85 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.7 tptp -131.86 97.99 4.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.527 HG13 ' O ' ' A' ' 37' ' ' ILE . 15.1 t -86.19 147.11 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.123 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.476 ' CE1' HD13 ' A' ' 57' ' ' LEU . 39.6 m-85 -129.88 149.44 51.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.48 ' CE ' ' O ' ' A' ' 34' ' ' ASN . 7.6 ptp -157.12 167.75 29.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.459 ' HB2' ' CD1' ' A' ' 85' ' ' LEU . 28.4 mt -51.12 137.53 21.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.893 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.458 ' N ' ' HA ' ' A' ' 66' ' ' ILE . 25.9 t80 -75.8 -29.05 58.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 -66.21 -40.22 90.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.824 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.459 ' CD1' ' HB2' ' A' ' 82' ' ' LEU . 84.0 mt -56.04 138.35 49.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 68.7 m -64.2 -48.15 77.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 131.73 -173.01 20.72 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.463 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -0.36 6.83 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.638 2.225 . . . . 0.0 112.323 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 36.0 p -58.21 100.87 0.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 33.2 t -89.0 150.49 22.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.47 -179.986 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.8 m -123.95 98.18 5.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.899 0.38 . . . . 0.0 110.862 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.9 t -68.98 -49.39 58.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.35 70.64 0.76 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.518 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 m -107.18 96.08 6.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.88 0.371 . . . . 0.0 110.834 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.4 m -115.29 130.94 57.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.816 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.97 50.85 0.11 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.53 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -103.46 90.24 3.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.84 0.352 . . . . 0.0 110.856 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.2 t -173.47 127.47 0.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -141.22 138.83 33.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -131.97 105.26 7.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -107.21 -43.63 4.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.058 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 139.26 59.46 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.5 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -115.59 136.6 52.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.791 0.329 . . . . 0.0 110.91 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 10.7 mmm -47.77 170.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.845 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.2 mtmm -121.86 131.81 54.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 123.58 164.52 12.05 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.475 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.6 m -96.4 -59.11 1.9 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.926 0.393 . . . . 0.0 110.909 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -51.64 149.26 4.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.441 ' CB ' ' HD3' ' A' ' 23' ' ' LYS . 8.5 p30 -118.71 52.56 1.03 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.515 ' O ' HG23 ' A' ' 25' ' ' VAL . 7.5 mp0 -100.18 -50.45 3.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -67.77 -19.63 65.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.441 ' HD3' ' CB ' ' A' ' 20' ' ' ASN . 12.7 ptmt -87.91 -33.8 18.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.406 ' N ' ' HG3' ' A' ' 23' ' ' LYS . 69.0 tp -74.29 -25.96 59.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 21' ' ' GLN . 92.1 t -81.43 -41.89 19.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.102 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.56 ' CE1' ' HB3' ' A' ' 65' ' ' LEU . 45.9 t80 -63.0 -23.37 67.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.8 -25.32 30.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.946 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.546 HG21 ' CB ' ' A' ' 45' ' ' LYS . 24.6 mt -81.52 -29.88 10.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.12 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.69 HG23 ' O ' ' A' ' 80' ' ' TYR . 37.0 mt -72.2 -48.4 49.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -60.54 -24.12 65.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -69.93 -38.31 76.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.55 ' HB1' ' O ' ' A' ' 36' ' ' GLY . . . -54.07 -33.89 58.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.1 -172.88 42.33 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.464 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.516 ' HA ' HD13 ' A' ' 85' ' ' LEU . 15.7 p-10 -49.23 -35.63 18.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.866 0.365 . . . . 0.0 110.908 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 29.1 mtmt -56.31 -31.55 63.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.55 ' O ' ' HB1' ' A' ' 32' ' ' ALA . . . 83.24 -173.61 51.92 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.535 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.476 HG12 ' N ' ' A' ' 38' ' ' TRP . 13.4 tt -145.66 157.86 12.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.772 0.32 . . . . 0.0 111.155 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.573 ' CH2' ' HD3' ' A' ' 40' ' ' ARG . 5.6 t90 -88.48 141.11 28.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.3 t -41.56 -56.88 2.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.573 ' HD3' ' CH2' ' A' ' 38' ' ' TRP . 1.0 OUTLIER -51.97 -62.25 1.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 40' ' ' ARG . 42.8 t0 -34.38 -38.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.498 HG11 HG13 ' A' ' 25' ' ' VAL . 19.9 t -63.12 -52.24 61.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.126 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 47' ' ' ASN . 30.5 mtp180 -34.27 -58.98 0.46 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -55.85 -51.79 66.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.939 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.546 ' CB ' HG21 ' A' ' 28' ' ' ILE . 46.5 mmtt -55.01 -63.21 1.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.888 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.466 ' HB3' HG22 ' A' ' 25' ' ' VAL . 51.0 p -68.58 -10.16 54.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 43' ' ' ARG . 19.8 t-20 56.11 26.58 10.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.413 ' HB2' HD11 ' A' ' 53' ' ' ILE . 28.9 mt -109.35 156.78 38.85 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.602 0.715 . . . . 0.0 110.887 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 157.37 60.59 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.657 2.238 . . . . 0.0 112.362 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.593 HD13 ' C ' ' A' ' 50' ' ' LEU . 3.4 tm? -48.58 -46.59 39.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.6 t -57.25 -23.84 50.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.151 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.522 ' O ' HD12 ' A' ' 56' ' ' ILE . 38.9 mm-40 -87.88 -41.75 12.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.413 HD11 ' HB2' ' A' ' 48' ' ' LEU . 1.7 mp -68.37 -30.18 46.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.098 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -72.02 -53.25 13.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 56' ' ' ILE . 0.2 OUTLIER -66.27 -36.7 83.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 179.92 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.522 HD12 ' O ' ' A' ' 52' ' ' GLU . 60.6 mt -70.26 -54.52 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.161 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.581 HD13 ' CE2' ' A' ' 80' ' ' TYR . 35.7 mt -50.51 -41.77 53.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 59' ' ' ASN . 22.7 ttmt -65.6 -60.47 2.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 58' ' ' LYS . 2.2 m-80 -35.2 -50.44 0.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 71.4 mt -56.84 -47.67 79.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 58' ' ' LYS . 41.6 mt-10 -55.78 -16.48 4.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.2 t -91.17 -25.69 19.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.8 mttm -91.45 13.19 18.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.6 mttp 59.42 26.27 15.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.904 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.56 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 70.8 mt -89.17 -32.59 17.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.434 HD12 ' HB3' ' A' ' 80' ' ' TYR . 19.4 pt -145.45 -175.36 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.9 pttm -160.64 158.25 28.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.417 ' N ' ' OE2' ' A' ' 61' ' ' GLU . . . -92.83 123.59 36.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.101 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 86.7 t -126.52 147.34 31.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.093 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -120.02 96.23 5.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 72' ' ' VAL . 1.2 t -82.06 157.4 24.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.812 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.436 ' C ' ' O ' ' A' ' 71' ' ' SER . 8.5 p -34.87 126.65 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.081 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -171.73 139.22 1.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.126 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.53 39.14 0.82 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.14 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.0 m -171.24 152.87 3.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.3 mmmt -68.46 123.66 21.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -151.92 173.84 14.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -147.03 120.94 9.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.459 HG13 ' N ' ' A' ' 37' ' ' ILE . 46.2 t -108.14 133.98 51.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.135 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.69 ' O ' HG23 ' A' ' 29' ' ' ILE . 94.5 m-85 -109.85 113.16 25.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 19.0 ptp -127.13 176.12 7.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 28.6 mt -56.62 138.03 52.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -71.35 -28.5 64.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 23.8 t30 -61.25 -40.1 92.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.516 HD13 ' HA ' ' A' ' 34' ' ' ASN . 14.2 mt -51.17 161.8 0.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.0 m -114.4 41.78 2.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 78.35 162.1 19.75 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.497 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 172.14 13.17 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.682 2.255 . . . . 0.0 112.347 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.2 m -109.19 147.32 32.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.842 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.0 t -61.15 122.87 16.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.508 -179.992 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.9 t -148.67 125.37 11.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.853 0.359 . . . . 0.0 110.846 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t -156.46 162.36 39.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.02 133.45 1.61 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.532 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m -167.76 157.7 10.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.844 0.354 . . . . 0.0 110.847 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.1 p -156.6 167.32 30.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.812 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.25 100.73 2.27 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.528 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.45 97.85 4.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.786 0.327 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.2 p -139.69 128.75 23.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -110.2 33.03 4.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -79.03 169.86 17.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -92.39 -44.09 8.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.094 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -175.0 156.4 22.48 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.545 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.5 ttmm -110.82 122.3 47.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.763 0.316 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.24 162.2 25.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.864 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -147.84 145.2 28.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -126.46 95.22 0.44 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.462 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.4 m -38.67 133.51 1.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.903 0.383 . . . . 0.0 110.86 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 20' ' ' ASN . 5.4 m-20 54.79 40.89 32.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.428 ' C ' ' O ' ' A' ' 19' ' ' ASP . 49.1 m-80 35.18 51.44 0.57 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.476 ' O ' HG23 ' A' ' 25' ' ' VAL . 88.0 mt-30 -91.0 -59.92 2.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -52.62 -31.29 35.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.01 -60.34 2.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.909 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 44.5 tp -46.63 -31.46 2.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.634 HG21 HD13 ' A' ' 56' ' ' ILE . 95.1 t -75.81 -49.56 25.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.146 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.41 ' HA ' HD12 ' A' ' 29' ' ' ILE . 76.7 t80 -58.5 -34.07 70.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.921 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -69.17 -31.71 70.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 31.5 mt -76.31 -32.79 22.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.107 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.549 HG23 ' O ' ' A' ' 80' ' ' TYR . 51.3 mt -69.54 -56.39 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.16 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.618 ' HB2' HD11 ' A' ' 82' ' ' LEU . 13.5 pt-20 -58.3 -31.78 67.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -62.99 -37.47 87.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.403 ' HB1' ' O ' ' A' ' 36' ' ' GLY . . . -53.15 -39.3 63.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.088 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.5 -165.61 26.2 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.483 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.471 ' HA ' HD13 ' A' ' 85' ' ' LEU . 9.8 p30 -52.74 -45.68 67.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.95 0.405 . . . . 0.0 110.897 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.3 mmtt -48.12 -37.2 14.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.403 ' O ' ' HB1' ' A' ' 32' ' ' ALA . . . 88.39 -174.13 43.08 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.517 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.474 HG12 ' N ' ' A' ' 38' ' ' TRP . 14.2 tt -140.86 159.43 23.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.865 0.365 . . . . 0.0 111.099 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.564 ' CZ3' ' HD2' ' A' ' 40' ' ' ARG . 2.2 t90 -94.32 130.62 40.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 38' ' ' TRP . 31.5 t -34.14 -51.96 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.564 ' HD2' ' CZ3' ' A' ' 38' ' ' TRP . 37.2 mtt85 -57.4 -58.1 9.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.825 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 40' ' ' ARG . 1.7 t70 -35.88 -37.53 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.554 HG11 HG13 ' A' ' 25' ' ' VAL . 57.7 t -65.73 -53.22 40.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 42' ' ' VAL . 19.6 mtp180 -34.0 -51.13 0.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -66.19 -55.0 18.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -53.95 -63.23 1.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.474 ' OG ' HG22 ' A' ' 25' ' ' VAL . 1.9 m -62.82 -25.74 68.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.808 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 70.02 25.03 4.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 24.2 mt -108.09 157.14 36.97 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.581 0.705 . . . . 0.0 110.929 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 155.03 66.99 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.672 2.248 . . . . 0.0 112.319 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.742 HD13 ' O ' ' A' ' 50' ' ' LEU . 1.7 tm? -48.37 -46.06 36.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.7 t -55.63 -24.83 35.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.163 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.626 ' O ' HD12 ' A' ' 56' ' ' ILE . 31.8 mm-40 -87.07 -43.54 12.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.409 HD12 ' N ' ' A' ' 53' ' ' ILE . 1.7 mp -65.74 -39.16 84.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.127 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.598 ' ND2' HD11 ' A' ' 50' ' ' LEU . 11.1 m-20 -63.72 -51.36 65.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.851 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.479 ' HG3' ' N ' ' A' ' 56' ' ' ILE . 18.4 ptpt -64.67 -41.22 96.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.634 HD13 HG21 ' A' ' 25' ' ' VAL . 26.1 mt -66.26 -57.84 8.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.148 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.604 ' O ' HD11 ' A' ' 66' ' ' ILE . 46.0 mt -44.88 -40.51 6.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.954 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' A' ' 61' ' ' GLU . 18.1 ttmt -68.12 -64.88 0.77 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 58' ' ' LYS . 26.3 m-20 -35.16 -50.85 0.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.448 ' CB ' HG12 ' A' ' 66' ' ' ILE . 77.9 mt -57.3 -42.32 81.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.506 ' OE2' ' HB2' ' A' ' 68' ' ' ALA . 64.4 mt-10 -63.99 -24.18 67.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 t -90.73 -25.19 20.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.6 mtpp -91.09 21.57 4.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.907 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 60.3 mmtt 50.86 38.54 20.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 43.2 mt -106.38 -32.3 8.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.604 HD11 ' O ' ' A' ' 57' ' ' LEU . 18.9 pt -147.18 178.12 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.154 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.421 ' NZ ' ' C ' ' A' ' 86' ' ' SER . 34.2 pttt -152.54 164.57 37.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.506 ' HB2' ' OE2' ' A' ' 61' ' ' GLU . . . -101.39 122.03 43.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 70.0 t -126.41 143.48 39.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.5 mtpt -109.61 109.8 20.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.8 t -76.46 164.26 26.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.848 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.517 ' O ' HG13 ' A' ' 72' ' ' VAL . 7.1 p -48.84 112.37 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.157 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -173.48 157.88 3.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.066 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -91.24 -55.45 3.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 41.1 m -58.38 171.53 0.58 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.824 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.7 tppt? -87.12 130.46 34.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.935 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? -148.53 175.74 10.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.438 ' HG2' ' CE1' ' A' ' 80' ' ' TYR . 28.2 tttp -151.62 114.29 4.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 40.9 t -107.6 138.99 31.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.175 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.552 ' CE1' HD13 ' A' ' 57' ' ' LEU . 77.8 m-85 -117.62 123.75 46.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 14.9 ptp -134.69 177.97 7.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.874 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.618 HD11 ' HB2' ' A' ' 30' ' ' GLU . 8.4 mt -58.16 140.92 51.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.961 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -66.21 -33.77 76.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.934 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -61.11 -40.37 93.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.471 HD13 ' HA ' ' A' ' 34' ' ' ASN . 42.0 mt -57.57 132.71 54.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.95 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.421 ' C ' ' NZ ' ' A' ' 67' ' ' LYS . 34.3 t -63.51 170.7 2.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -153.34 164.13 30.9 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.519 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 172.7 12.16 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.685 2.257 . . . . 0.0 112.333 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.9 t -71.4 132.44 44.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.828 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.8 m -53.39 123.47 12.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.441 -179.96 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.3 p -150.81 151.95 33.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.85 0.357 . . . . 0.0 110.898 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 4' ' ' GLY . 6.0 t -57.61 176.45 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.82 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 3' ' ' SER . . . -36.19 110.23 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.479 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.9 p -174.25 174.33 2.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.89 0.376 . . . . 0.0 110.872 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -61.72 -54.08 47.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.91 79.75 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.485 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -144.53 166.8 24.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.849 0.356 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.1 t -160.66 148.19 15.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.846 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -89.65 138.82 31.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 -83.69 46.42 1.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.59 -41.63 16.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.104 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 102.39 -161.89 16.99 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.53 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.47 ' N ' ' HE2' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -79.89 141.41 36.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.743 0.306 . . . . 0.0 110.957 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 56.33 41.19 29.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.87 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? 47.96 52.95 12.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 54.88 61.72 7.04 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.466 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.4 m -125.08 160.29 29.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.852 0.358 . . . . 0.0 110.844 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.28 140.73 38.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.868 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -43.57 -38.29 2.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.678 ' O ' HG23 ' A' ' 25' ' ' VAL . 81.0 mt-30 -46.18 -48.16 17.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -65.4 -26.48 68.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.856 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.6 mtmt -78.12 -60.21 2.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 35.2 tp -41.94 -38.98 1.72 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 21' ' ' GLN . 21.9 t -72.12 -46.64 57.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.466 ' CE1' ' HB3' ' A' ' 65' ' ' LEU . 60.0 t80 -59.3 -28.31 66.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.47 -43.59 31.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.629 HG21 ' CB ' ' A' ' 45' ' ' LYS . 25.7 mt -63.34 -37.78 80.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.491 HD13 HD13 ' A' ' 66' ' ' ILE . 74.0 mt -63.11 -58.81 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -52.47 -26.75 13.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -64.72 -42.22 95.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.431 ' HB2' ' HB ' ' A' ' 37' ' ' ILE . . . -53.52 -39.39 64.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.119 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.78 -160.08 30.96 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.476 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.528 ' O ' ' HE1' ' A' ' 81' ' ' MET . 5.1 m-20 -54.12 -47.49 71.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.9 0.381 . . . . 0.0 110.893 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.4 ptpt -45.04 -29.72 0.92 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.469 ' HA3' ' CG1' ' A' ' 79' ' ' VAL . . . 83.02 179.16 52.59 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.496 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.431 ' HB ' ' HB2' ' A' ' 32' ' ' ALA . 15.5 tt -136.23 150.33 27.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.835 0.35 . . . . 0.0 111.145 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.544 ' CE3' ' HB2' ' A' ' 40' ' ' ARG . 4.1 t90 -84.99 127.44 34.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 38' ' ' TRP . 86.1 p -35.0 -42.9 0.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.823 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.544 ' HB2' ' CE3' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -60.86 -57.93 10.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -39.58 -30.66 0.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.638 ' CG1' HG13 ' A' ' 25' ' ' VAL . 58.3 t -69.78 -41.92 79.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' A' ' 40' ' ' ARG . 40.9 mtp180 -48.77 -37.05 17.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.815 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -81.19 -63.38 1.42 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.629 ' CB ' HG21 ' A' ' 28' ' ' ILE . 14.6 mmmm -48.18 -55.1 11.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.468 ' N ' HD13 ' A' ' 28' ' ' ILE . 5.9 m -71.14 -14.35 62.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.799 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.6 m120 56.73 31.85 20.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 32.2 mt -117.05 156.26 48.55 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.588 0.709 . . . . 0.0 110.934 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 155.22 66.59 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.708 2.272 . . . . 0.0 112.366 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.5 HD13 ' C ' ' A' ' 50' ' ' LEU . 3.4 tm? -47.03 -49.42 21.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.918 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.3 t -54.03 -25.29 20.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.168 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.607 ' O ' HD12 ' A' ' 56' ' ' ILE . 35.3 mm-40 -87.32 -39.57 15.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.429 ' N ' HD12 ' A' ' 53' ' ' ILE . 1.8 mp -69.31 -33.84 59.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.133 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.448 HD21 HD21 ' A' ' 50' ' ' LEU . 1.2 m-80 -67.64 -52.96 32.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.469 ' HG3' ' N ' ' A' ' 56' ' ' ILE . 16.6 ptpt -65.61 -41.78 92.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.607 HD12 ' O ' ' A' ' 52' ' ' GLU . 43.0 mt -65.86 -56.73 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.526 ' O ' HD11 ' A' ' 66' ' ' ILE . 33.8 mt -47.56 -43.36 25.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' A' ' 61' ' ' GLU . 8.7 tptp -67.71 -63.0 1.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 58' ' ' LYS . 15.1 m-80 -34.99 -51.18 0.51 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.888 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 65.5 mt -55.88 -42.88 76.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 58' ' ' LYS . 48.6 mt-10 -61.17 -17.84 55.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.2 t -90.8 -26.58 19.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.9 mttm -92.11 19.43 6.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.495 ' HG2' ' CE2' ' A' ' 83' ' ' TYR . 14.5 mtpp 53.67 31.76 13.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.466 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 23.6 mt -96.14 -28.28 14.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.949 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.526 HD11 ' O ' ' A' ' 57' ' ' LEU . 19.7 pt -153.04 176.95 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.9 pttp -150.86 160.99 43.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.898 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.485 ' HB2' ' OE2' ' A' ' 61' ' ' GLU . . . -98.71 127.65 44.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.079 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.506 HG21 ' HE3' ' A' ' 81' ' ' MET . 93.0 t -123.92 146.15 29.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.4 tptm -114.27 109.09 17.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.1 t -63.89 159.98 18.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.856 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.7 p -43.45 -29.66 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.123 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -83.28 92.61 7.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.115 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.4 90.12 8.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.068 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 52.6 m -128.03 51.6 1.95 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.844 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 57.01 35.03 25.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.9 mtmm -98.71 -178.42 3.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.59 105.76 1.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.469 ' CG1' ' HA3' ' A' ' 36' ' ' GLY . 20.4 t -97.93 154.23 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.109 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -135.46 136.15 41.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.528 ' HE1' ' O ' ' A' ' 34' ' ' ASN . 9.2 ptp -147.08 165.58 29.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.8 mt -43.83 144.81 0.78 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.495 ' CE2' ' HG2' ' A' ' 64' ' ' LYS . 22.7 t80 -73.73 -29.36 62.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 60.8 t-20 -62.27 -40.22 95.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 18.7 mt -59.94 168.46 1.82 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 28.9 m -120.74 130.32 53.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.828 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -61.33 -177.22 2.21 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.446 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 142.36 47.57 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.672 2.248 . . . . 0.0 112.298 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 85.2 p -85.62 157.8 20.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.856 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 16.3 t -85.27 -55.69 3.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.512 179.995 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.8 p -155.22 166.63 32.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.854 0.359 . . . . 0.0 110.888 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 t -121.64 151.52 40.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.3 142.45 5.7 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.441 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -156.44 158.76 37.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.846 0.355 . . . . 0.0 110.876 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -152.23 174.82 13.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.39 82.93 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.494 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -111.7 100.35 8.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.836 0.351 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.1 t -85.05 42.44 0.93 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -163.48 108.11 1.05 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -72.13 -50.47 27.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.74 -44.18 15.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.099 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 69.0 104.75 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.519 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.408 ' N ' ' HD3' ' A' ' 14' ' ' LYS . 2.6 mppt? -97.95 136.51 38.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.793 0.33 . . . . 0.0 110.875 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 20.5 ttm -48.02 112.49 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.8 pttt -100.46 133.32 45.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -179.56 166.63 36.05 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.5 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.5 m -85.78 -43.27 13.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.86 0.362 . . . . 0.0 110.864 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.437 ' C ' ' CG ' ' A' ' 20' ' ' ASN . 9.5 m-20 -72.33 -53.3 12.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.437 ' CG ' ' C ' ' A' ' 19' ' ' ASP . 0.7 OUTLIER 48.01 48.13 18.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.55 ' O ' HG23 ' A' ' 25' ' ' VAL . 1.4 mp0 -90.56 -40.08 12.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -70.44 -19.74 62.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.461 ' HG3' ' N ' ' A' ' 24' ' ' LEU . 3.1 pttp -82.15 -30.65 30.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.957 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.461 ' N ' ' HG3' ' A' ' 23' ' ' LYS . 27.9 tp -76.57 -26.66 55.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.6 HG13 HG11 ' A' ' 42' ' ' VAL . 37.1 t -80.68 -39.84 18.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.135 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -62.89 -39.08 93.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.406 ' HA ' ' NE2' ' A' ' 27' ' ' GLN . 9.2 mm-40 -63.55 -37.13 86.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.913 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.614 HD13 ' HB2' ' A' ' 45' ' ' LYS . 50.5 mt -68.85 -40.24 81.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.422 HG23 ' O ' ' A' ' 80' ' ' TYR . 64.4 mt -62.69 -52.89 54.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -58.59 -27.9 65.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -64.58 -40.24 95.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.443 ' HB1' ' O ' ' A' ' 36' ' ' GLY . . . -53.96 -39.82 66.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.87 -143.11 16.29 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.468 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -76.43 -24.82 53.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.922 0.391 . . . . 0.0 110.95 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 20.5 pttt -70.53 -5.98 32.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.443 ' O ' ' HB1' ' A' ' 32' ' ' ALA . . . 59.14 -175.56 2.99 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.44 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.65 HD13 HG22 ' A' ' 42' ' ' VAL . 13.1 tt -143.13 149.92 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.836 0.351 . . . . 0.0 111.115 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.467 ' CE3' ' HB3' ' A' ' 40' ' ' ARG . 12.9 t90 -80.89 137.55 36.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 65.6 p -43.67 -42.55 5.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.467 ' HB3' ' CE3' ' A' ' 38' ' ' TRP . 38.3 ttt180 -67.11 -55.59 13.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.879 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -41.18 -30.56 0.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.65 HG22 HD13 ' A' ' 37' ' ' ILE . 97.2 t -71.98 -51.28 31.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.167 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 42' ' ' VAL . 32.0 mtp180 -34.1 -54.29 0.49 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -59.84 -56.91 15.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.953 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.614 ' HB2' HD13 ' A' ' 28' ' ' ILE . 41.5 mmtt -51.91 -61.49 2.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.918 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 89.9 p -68.06 -11.92 59.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 54.05 26.94 6.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.523 HD21 ' HG3' ' A' ' 21' ' ' GLN . 36.1 mt -107.07 157.19 35.96 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.605 0.717 . . . . 0.0 110.934 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 155.17 66.68 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.747 2.298 . . . . 0.0 112.303 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.726 HD13 ' O ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -48.9 -44.26 40.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.916 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.6 t -58.38 -24.09 58.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.13 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.446 ' O ' HD12 ' A' ' 56' ' ' ILE . 7.3 mm-40 -87.18 -44.4 11.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.484 HD11 ' HB2' ' A' ' 48' ' ' LEU . 1.7 mp -66.22 -36.2 76.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.171 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.448 ' ND2' HD11 ' A' ' 50' ' ' LEU . 9.0 m-20 -68.17 -52.49 33.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -67.41 -37.67 83.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.446 HD12 ' O ' ' A' ' 52' ' ' GLU . 52.2 mt -70.15 -55.38 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.132 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.678 HD13 ' CE2' ' A' ' 80' ' ' TYR . 18.7 mt -45.2 -48.29 12.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 40.8 tttm -66.1 -57.99 6.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 26.1 m-20 -41.39 -29.32 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 84.1 mt -76.46 -44.84 33.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -58.59 -17.19 19.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.2 t -86.78 -35.03 19.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.4 mttp -80.9 12.1 3.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.586 ' HD2' ' CE2' ' A' ' 83' ' ' TYR . 17.0 mmtp 58.4 36.83 25.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.868 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 97.5 mt -101.43 -31.03 11.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.897 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.414 ' HA ' ' N ' ' A' ' 83' ' ' TYR . 5.9 pt -145.05 -175.02 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.401 ' NZ ' ' C ' ' A' ' 87' ' ' GLY . 1.2 ptmt -158.19 167.65 29.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -101.01 122.77 44.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.083 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.497 HG22 ' HD2' ' A' ' 88' ' ' PRO . 91.4 t -126.92 97.91 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.146 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.1 tptp -77.68 99.32 5.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.9 p -64.9 155.21 35.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.449 ' O ' HG13 ' A' ' 72' ' ' VAL . 7.1 p -56.91 121.46 4.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.153 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -171.26 174.03 4.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.101 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -95.07 -56.62 2.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 79.8 p -67.99 148.18 51.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 36.6 mmtm -65.15 140.6 58.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? -156.69 174.5 15.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.8 tptm -152.16 106.42 3.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 13.2 t -100.95 136.25 33.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.678 ' CE2' HD13 ' A' ' 57' ' ' LEU . 99.1 m-85 -122.34 128.73 51.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.946 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 9.4 ptp -138.44 174.0 11.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.904 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.458 ' HB2' ' CD1' ' A' ' 85' ' ' LEU . 14.6 mt -53.12 138.31 31.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.586 ' CE2' ' HD2' ' A' ' 64' ' ' LYS . 37.9 t80 -69.0 -26.46 65.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -66.66 -39.46 88.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.865 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.458 ' CD1' ' HB2' ' A' ' 82' ' ' LEU . 19.8 mt -58.48 143.06 46.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 78.4 p -55.09 144.67 23.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.401 ' C ' ' NZ ' ' A' ' 67' ' ' LYS . . . 166.91 -170.28 41.25 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.471 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.497 ' HD2' HG22 ' A' ' 69' ' ' VAL . 53.7 Cg_endo -69.76 107.85 1.95 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.709 2.272 . . . . 0.0 112.315 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 30.9 m -52.85 118.72 3.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.9 t -78.13 -51.32 10.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.85 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.47 -179.984 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 t -158.96 174.38 15.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.903 0.383 . . . . 0.0 110.864 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.5 m -126.25 -44.37 1.74 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.98 153.95 13.18 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.477 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.0 m -67.48 120.59 14.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.866 0.365 . . . . 0.0 110.859 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -162.92 145.41 10.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.907 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.0 -131.74 10.68 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.495 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 35.3 t70 64.17 42.67 5.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.822 0.344 . . . . 0.0 110.864 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 82.2 p -130.08 125.77 35.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -87.79 159.14 18.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.921 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 -99.26 41.63 1.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -93.23 -43.6 8.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.48 51.28 3.14 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.504 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.48 161.84 16.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.728 0.299 . . . . 0.0 110.93 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 34.8 mtt -89.49 100.3 13.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.1 tppt? -89.94 80.65 6.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.933 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 133.63 137.42 3.85 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.521 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 71.7 p -59.13 136.22 57.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.869 0.366 . . . . 0.0 110.864 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -164.11 142.36 7.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.819 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 70.0 m-20 -115.2 -28.55 6.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.893 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -65.63 -59.75 3.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -52.84 -16.52 1.03 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 31.9 mtpt -88.96 -58.33 2.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 37.7 tp -50.62 -28.06 8.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.608 HG21 HG21 ' A' ' 56' ' ' ILE . 91.6 t -79.41 -46.15 23.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.11 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.414 ' HA ' HD12 ' A' ' 29' ' ' ILE . 60.5 t80 -57.84 -39.09 76.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -67.39 -35.3 79.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.919 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.455 HD12 ' HA ' ' A' ' 25' ' ' VAL . 42.5 mt -68.15 -36.57 75.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.513 HD13 HG21 ' A' ' 66' ' ' ILE . 49.9 mt -65.91 -55.56 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.099 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -56.51 -24.45 46.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -67.64 -43.27 80.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.79 ' HB1' ' O ' ' A' ' 36' ' ' GLY . . . -53.78 -27.55 29.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.07 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.22 -153.26 26.39 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.463 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -65.42 -45.02 85.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.875 0.369 . . . . 0.0 110.901 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.6 mtmm -46.18 -38.46 8.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.79 ' O ' ' HB1' ' A' ' 32' ' ' ALA . . . 96.42 -167.13 24.57 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.488 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.494 HD13 HG22 ' A' ' 42' ' ' VAL . 15.8 tt -146.91 158.03 10.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.818 0.342 . . . . 0.0 111.162 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.51 ' CZ3' ' HD2' ' A' ' 40' ' ' ARG . 17.8 t90 -96.81 131.79 43.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 38' ' ' TRP . 3.7 t -35.31 -50.31 0.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.51 ' HD2' ' CZ3' ' A' ' 38' ' ' TRP . 7.1 ttm180 -54.06 -50.53 66.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.87 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -49.79 -51.78 37.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.544 HG11 HG13 ' A' ' 25' ' ' VAL . 73.2 t -53.02 -35.62 22.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.408 ' HA ' ' CD1' ' A' ' 53' ' ' ILE . 10.6 ttp180 -46.78 -67.07 0.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -60.85 -53.52 56.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.8 mmtm -44.11 -42.64 6.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 65.3 p -93.98 -7.82 41.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.835 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 56.84 26.92 12.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 67.6 mt -109.49 155.27 41.54 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.598 0.713 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 154.4 67.85 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.661 2.241 . . . . 0.0 112.374 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.658 HD13 ' O ' ' A' ' 50' ' ' LEU . 2.1 tm? -47.99 -45.55 31.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.4 t -54.69 -26.47 33.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -84.83 -48.61 9.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.47 HG22 HD12 ' A' ' 57' ' ' LEU . 1.8 mp -61.02 -29.29 45.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.16 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.475 ' ND2' ' CD1' ' A' ' 50' ' ' LEU . 17.0 m-20 -70.12 -55.27 9.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.46 ' HG3' ' N ' ' A' ' 56' ' ' ILE . 4.5 ptpp? -66.34 -34.16 77.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.608 HG21 HG21 ' A' ' 25' ' ' VAL . 57.3 mt -72.16 -52.08 26.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.489 HD13 ' CE2' ' A' ' 80' ' ' TYR . 32.9 mt -51.48 -38.88 56.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.497 ' O ' ' N ' ' A' ' 61' ' ' GLU . 20.1 tttp -68.73 -62.33 1.43 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 58' ' ' LYS . 2.1 m-80 -35.56 -50.63 0.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.457 ' CB ' HG12 ' A' ' 66' ' ' ILE . 66.4 mt -59.08 -41.2 87.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.981 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.564 ' OE2' ' HB2' ' A' ' 68' ' ' ALA . 53.3 mt-10 -64.97 -20.43 66.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 t -96.16 -25.58 15.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.3 mtpp -87.71 19.14 3.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.929 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt 52.91 35.11 18.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 40.0 mt -102.37 -36.79 8.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.513 HG21 HD13 ' A' ' 29' ' ' ILE . 17.5 pt -140.02 -175.15 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.117 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.9 pttm -160.63 158.59 29.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.564 ' HB2' ' OE2' ' A' ' 61' ' ' GLU . . . -93.15 125.35 37.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.064 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 53.3 t -125.94 96.44 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.071 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 30.5 tttt -83.61 97.57 9.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.1 t -79.47 162.03 25.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 13.0 p -40.83 129.88 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.142 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -174.41 159.74 3.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.078 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -97.73 -42.82 7.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.052 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.1 m -76.93 170.05 17.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.16 111.97 23.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt -139.21 173.48 11.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 25.4 tptt -149.18 110.46 4.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 10.3 t -95.2 150.05 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.115 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.495 ' HB3' HD12 ' A' ' 66' ' ' ILE . 97.9 m-85 -132.59 132.69 42.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 12.4 ptp -145.49 162.24 37.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.418 HD12 HD22 ' A' ' 85' ' ' LEU . 11.9 mt -45.36 143.48 1.76 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -77.8 -32.71 52.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -67.97 -38.41 82.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.418 HD22 HD12 ' A' ' 82' ' ' LEU . 9.9 mp -62.43 162.79 9.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.7 m -90.93 151.06 21.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -88.49 -158.43 33.67 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.514 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 92.3 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.655 2.237 . . . . 0.0 112.346 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.3 t 59.78 38.21 21.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 22.9 t -135.36 147.94 49.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 -179.969 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.7 p -92.27 -59.81 2.0 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.856 0.36 . . . . 0.0 110.868 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.5 p -66.51 138.59 57.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.19 44.66 17.33 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.451 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.9 p -44.52 131.73 6.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.9 0.381 . . . . 0.0 110.832 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -111.86 168.85 9.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.93 -162.27 35.46 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.462 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -170.1 166.72 9.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.81 0.338 . . . . 0.0 110.85 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.3 p -90.36 163.92 14.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -58.49 158.94 6.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.913 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -124.14 42.57 3.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.23 -43.14 21.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.22 89.04 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.489 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -104.8 118.68 37.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.76 0.314 . . . . 0.0 110.868 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.6 tpt -102.3 155.03 18.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.839 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.0 tttp -51.59 -64.5 0.79 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.77 -64.36 1.49 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.504 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 63.7 m -39.5 -62.67 0.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.888 0.375 . . . . 0.0 110.874 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -99.89 167.01 10.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.854 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.439 ' O ' ' CB ' ' A' ' 24' ' ' LEU . 1.2 m120 -131.36 44.43 2.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.856 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.422 ' O ' HG23 ' A' ' 25' ' ' VAL . 5.7 mp0 -93.33 -49.04 6.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -70.6 -22.79 62.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.55 -37.73 12.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.439 ' CB ' ' O ' ' A' ' 20' ' ' ASN . 27.9 tp -62.1 -34.05 75.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.889 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.657 HG22 ' CB ' ' A' ' 46' ' ' SER . 95.3 t -76.32 -43.96 36.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.136 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.552 ' CE1' ' HB3' ' A' ' 65' ' ' LEU . 59.3 t80 -58.41 -26.51 63.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.882 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.45 -29.8 37.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.928 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 28.6 mt -75.44 -34.48 30.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.491 HD13 HD13 ' A' ' 66' ' ' ILE . 53.5 mt -64.06 -55.2 23.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.146 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.478 ' HB2' HD11 ' A' ' 82' ' ' LEU . 10.2 pt-20 -57.31 -36.04 70.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -56.06 -39.06 71.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.771 ' HB1' ' O ' ' A' ' 36' ' ' GLY . . . -53.34 -38.89 63.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.1 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.83 -174.43 34.46 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.467 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -45.5 -44.42 12.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.85 0.357 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.4 mmmt -48.44 -43.1 34.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.771 ' O ' ' HB1' ' A' ' 32' ' ' ALA . . . 99.58 -165.26 20.16 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.43 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.59 HD13 HG22 ' A' ' 42' ' ' VAL . 15.2 tt -148.95 155.38 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.767 0.318 . . . . 0.0 111.15 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.412 ' N ' HG12 ' A' ' 37' ' ' ILE . 10.1 t90 -88.62 137.03 32.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.956 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.7 p -39.51 -47.51 1.88 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 42' ' ' VAL . 23.7 mtm180 -64.84 -55.86 16.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -38.08 -29.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.59 HG22 HD13 ' A' ' 37' ' ' ILE . 93.4 t -74.48 -53.43 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.175 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 42' ' ' VAL . 22.9 mtp180 -34.38 -48.72 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -65.14 -58.45 5.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.1 mmtp -53.16 -61.14 2.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.881 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.657 ' CB ' HG22 ' A' ' 25' ' ' VAL . 71.3 p -66.21 -4.95 8.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.838 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 47.5 t30 45.4 33.85 1.39 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.2 mt -116.62 156.57 47.52 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.634 0.731 . . . . 0.0 110.933 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 155.01 66.99 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.624 2.216 . . . . 0.0 112.323 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.528 HD13 ' C ' ' A' ' 50' ' ' LEU . 3.2 tm? -47.87 -48.08 31.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.966 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.7 t -55.08 -24.1 23.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.176 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.643 ' O ' HD12 ' A' ' 56' ' ' ILE . 6.4 mm-40 -87.96 -42.31 12.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.502 HG22 HD12 ' A' ' 57' ' ' LEU . 1.7 mp -66.5 -33.32 62.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.167 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -66.72 -54.01 27.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.454 ' HG3' ' N ' ' A' ' 56' ' ' ILE . 17.3 ptpt -62.77 -41.32 99.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.643 HD12 ' O ' ' A' ' 52' ' ' GLU . 23.6 mt -67.28 -57.3 10.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.725 ' O ' HD11 ' A' ' 66' ' ' ILE . 41.4 mt -47.74 -44.55 28.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 59' ' ' ASN . 21.4 mtpp -73.14 -62.1 1.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 58' ' ' LYS . 26.7 m-20 -34.99 -48.95 0.43 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 67.3 mt -60.47 -47.18 87.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.937 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.537 ' OE2' ' HB2' ' A' ' 68' ' ' ALA . 50.7 mt-10 -52.48 -20.26 2.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.2 t -88.24 -32.66 18.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.816 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.7 mttp -82.52 18.4 1.51 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 50.6 mmtt 54.03 37.95 27.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.906 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.552 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 82.7 mt -104.18 -31.76 9.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.725 HD11 ' O ' ' A' ' 57' ' ' LEU . 13.8 pt -148.09 177.41 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.109 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.5 pttt -150.97 162.2 41.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.537 ' HB2' ' OE2' ' A' ' 61' ' ' GLU . . . -101.26 120.1 39.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.124 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 87.3 t -113.45 145.32 19.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.162 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.458 ' HG3' ' N ' ' A' ' 71' ' ' SER . 0.1 OUTLIER -91.44 150.74 21.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.458 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 54.8 p -107.91 144.02 35.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.406 ' O ' ' C ' ' A' ' 73' ' ' ALA . 7.4 p -54.81 -38.11 43.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.109 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 72' ' ' VAL . . . -36.84 -66.5 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -164.62 174.63 10.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.099 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.407 ' HA ' ' NZ ' ' A' ' 70' ' ' LYS . 99.3 p -104.37 48.69 0.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -124.9 -14.38 6.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.43 ' N ' ' HD3' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -104.33 174.79 5.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.893 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.25 121.13 11.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 41.3 t -108.73 140.34 27.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.611 ' CE2' HD13 ' A' ' 57' ' ' LEU . 98.8 m-85 -124.25 131.57 53.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 21.1 ptp -142.17 177.02 8.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.832 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.556 HD13 HD13 ' A' ' 85' ' ' LEU . 12.3 mt -57.29 141.91 45.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -67.94 -45.81 73.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 41.5 t-20 -61.14 -40.08 92.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.556 HD13 HD13 ' A' ' 82' ' ' LEU . 9.8 mp -64.42 155.3 33.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.958 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 53.0 p -110.07 136.49 49.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -98.65 -175.67 32.45 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.511 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -1.06 7.84 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.678 2.252 . . . . 0.0 112.335 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 90' ' ' SER . 47.9 p -49.25 139.98 10.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 89' ' ' SER . 3.2 m -36.58 119.28 0.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 -179.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.482 179.997 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 m -165.81 133.88 3.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.88 0.371 . . . . 0.0 110.862 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.6 t -171.55 114.94 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.809 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.56 148.07 7.97 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.507 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.4 m -153.86 161.35 42.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.932 0.396 . . . . 0.0 110.845 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -135.87 116.78 14.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.829 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.98 159.56 29.04 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.513 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -52.35 156.04 1.86 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.816 0.341 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.1 p -95.36 -51.5 4.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 54.0 mm-40 -143.68 115.34 8.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.918 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -97.1 118.05 32.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -94.71 -43.82 8.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.072 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 49.36 50.57 29.08 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -74.43 153.2 39.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.79 0.329 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.4 tmm? -116.41 42.57 2.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.0 tttm -122.95 153.59 39.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 83.56 -138.89 18.25 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 42.1 p -44.69 166.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.88 0.371 . . . . 0.0 110.842 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 59.28 47.65 11.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.827 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -86.82 46.65 1.39 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.548 ' HG2' HD21 ' A' ' 48' ' ' LEU . 60.0 mt-30 -101.05 -48.19 4.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.488 ' OE2' HG23 ' A' ' 56' ' ' ILE . 10.2 tp10 -65.6 -20.65 66.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.4 pttt -83.44 -35.61 24.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.8 tp -70.56 -36.26 73.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.701 HG13 ' CG1' ' A' ' 42' ' ' VAL . 28.8 t -74.83 -45.84 42.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.46 ' CE1' ' HB3' ' A' ' 65' ' ' LEU . 61.6 t80 -58.02 -28.39 64.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.936 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -79.23 -43.77 23.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.907 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.456 HG21 ' HB2' ' A' ' 45' ' ' LYS . 33.6 mt -64.04 -30.86 51.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.114 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.487 HD11 HG12 ' A' ' 25' ' ' VAL . 54.3 mt -71.52 -52.85 23.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.125 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -58.89 -25.92 63.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -68.36 -33.83 74.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.737 ' HB1' ' O ' ' A' ' 36' ' ' GLY . . . -58.36 -31.15 67.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.13 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 82.86 -165.08 43.42 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.482 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.451 ' HA ' HD23 ' A' ' 85' ' ' LEU . 4.8 p-10 -53.76 -43.98 69.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.843 0.354 . . . . 0.0 110.881 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 68.5 mttt -47.93 -35.93 11.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.737 ' O ' ' HB1' ' A' ' 32' ' ' ALA . . . 92.05 -173.08 35.85 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.467 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.555 ' HB ' ' HB2' ' A' ' 32' ' ' ALA . 13.1 tt -143.18 151.53 17.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.788 0.328 . . . . 0.0 111.144 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.567 ' CH2' ' HD2' ' A' ' 40' ' ' ARG . 7.7 t90 -84.64 136.75 33.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 55.6 p -40.34 -44.16 1.89 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.858 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.567 ' HD2' ' CH2' ' A' ' 38' ' ' TRP . 24.5 mtt180 -64.26 -52.98 56.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.65 -21.74 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.701 ' CG1' HG13 ' A' ' 25' ' ' VAL . 85.1 t -80.91 -38.11 16.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 47' ' ' ASN . 37.1 mtm180 -54.21 -53.11 58.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -61.85 -66.03 0.6 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.96 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.456 ' HB2' HG21 ' A' ' 28' ' ' ILE . 20.7 mmtm -45.45 -50.86 12.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.887 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.8 m -75.0 -16.61 60.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.408 ' N ' ' O ' ' A' ' 43' ' ' ARG . 4.7 m120 56.81 26.5 11.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.877 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.548 HD21 ' HG2' ' A' ' 21' ' ' GLN . 31.0 mt -108.53 157.22 37.16 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.602 0.715 . . . . 0.0 110.91 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 154.68 67.25 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.671 2.248 . . . . 0.0 112.347 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.726 HD13 ' O ' ' A' ' 50' ' ' LEU . 2.0 tm? -47.65 -46.75 29.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.1 t -54.1 -26.24 26.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.101 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.405 ' O ' HD12 ' A' ' 56' ' ' ILE . 35.7 mm-40 -86.08 -45.24 11.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.919 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.402 HD12 ' N ' ' A' ' 53' ' ' ILE . 1.7 mp -63.73 -31.76 54.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.155 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.654 ' ND2' HD11 ' A' ' 50' ' ' LEU . 15.5 m-20 -71.27 -51.39 24.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -66.33 -39.54 89.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.666 HD13 HG21 ' A' ' 25' ' ' VAL . 47.4 mt -68.32 -56.7 11.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.702 ' O ' HD11 ' A' ' 66' ' ' ILE . 35.5 mt -47.7 -36.1 10.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 59' ' ' ASN . 7.8 ttpp -76.07 -62.74 1.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.948 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 58' ' ' LYS . 15.7 m-80 -35.08 -55.21 0.6 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.535 ' CD2' HD12 ' A' ' 65' ' ' LEU . 83.6 mt -54.0 -49.21 69.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.638 ' OE2' ' HB2' ' A' ' 68' ' ' ALA . 46.3 mt-10 -52.27 -27.36 14.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 t -90.57 -28.9 18.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.8 mtpp -85.93 22.12 1.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.481 ' HG2' ' CE2' ' A' ' 83' ' ' TYR . 32.0 mtpt 50.22 42.7 25.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.535 HD12 ' CD2' ' A' ' 60' ' ' LEU . 76.0 mt -112.25 -28.19 8.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.702 HD11 ' O ' ' A' ' 57' ' ' LEU . 18.8 pt -151.48 -175.02 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.6 158.28 33.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.638 ' HB2' ' OE2' ' A' ' 61' ' ' GLU . . . -96.28 122.12 38.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 63.7 t -125.09 138.01 55.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt -106.4 113.24 26.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.953 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 52.8 p -70.2 149.97 46.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.859 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.569 ' O ' HG13 ' A' ' 72' ' ' VAL . 11.2 p -59.21 114.1 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.133 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -172.98 175.03 3.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.09 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -89.77 -60.15 2.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.061 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 95.9 p -53.51 171.99 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 17.7 mmtp -96.56 135.11 38.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 30.4 mtmt -152.44 -179.61 7.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.935 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.8 tptt -156.62 112.3 2.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.845 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.418 HG12 ' N ' ' A' ' 80' ' ' TYR . 14.6 t -103.7 156.4 5.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.178 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.546 ' CE2' HD13 ' A' ' 57' ' ' LEU . 97.4 m-85 -134.67 146.52 49.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 7.5 ptp -159.38 175.69 13.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.6 mt -54.89 132.58 46.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.481 ' CE2' ' HG2' ' A' ' 64' ' ' LYS . 23.2 t80 -56.69 -39.68 74.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -63.26 -40.08 96.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 34' ' ' ASN . 9.9 mp -66.54 108.48 2.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 74.9 m -71.04 -62.39 1.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.823 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 59.99 -158.25 25.51 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.502 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 138.77 38.63 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.658 2.239 . . . . 0.0 112.377 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.2 t -132.57 145.81 51.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.879 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 41.6 t -165.64 125.21 1.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.471 -179.963 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.6 p -117.76 114.51 23.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.941 0.4 . . . . 0.0 110.813 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -82.26 44.7 0.88 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.819 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.15 98.63 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.49 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.7 t -98.21 115.56 28.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.893 0.378 . . . . 0.0 110.838 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 t -88.38 120.9 30.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.87 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.56 100.46 0.15 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.502 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -126.04 41.69 3.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.822 0.344 . . . . 0.0 110.85 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.8 p -167.94 153.71 7.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -89.91 115.06 26.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -114.23 151.95 32.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -106.64 -42.4 4.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.078 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.31 80.82 1.27 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.466 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -106.58 157.65 17.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.764 0.316 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.46 132.81 55.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.857 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -89.57 178.3 6.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 77.49 -110.14 2.96 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.525 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.451 ' CB ' ' HB2' ' A' ' 21' ' ' GLN . 8.7 p -59.35 -176.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.877 0.37 . . . . 0.0 110.85 -179.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -115.09 -61.95 1.67 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -121.55 33.04 5.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.648 ' O ' HG23 ' A' ' 25' ' ' VAL . 66.2 mt-30 -97.01 -47.19 5.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -68.71 -14.23 62.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 24' ' ' LEU . 21.0 pttt -88.64 -36.08 16.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.431 ' N ' ' HG3' ' A' ' 23' ' ' LYS . 51.8 tp -73.37 -32.36 64.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.767 HG21 HG21 ' A' ' 56' ' ' ILE . 36.3 t -74.07 -40.46 51.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.155 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.432 ' CE1' ' HB3' ' A' ' 65' ' ' LEU . 31.3 t80 -63.69 -27.57 69.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.07 -44.98 28.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.927 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.645 HG21 ' CB ' ' A' ' 45' ' ' LYS . 22.0 mt -61.03 -36.36 71.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.089 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.761 HG23 ' O ' ' A' ' 80' ' ' TYR . 52.5 mt -65.04 -57.48 10.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -55.07 -28.09 49.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -64.69 -38.9 92.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.522 ' HB1' ' O ' ' A' ' 36' ' ' GLY . . . -53.18 -40.13 64.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.1 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.49 -172.52 37.76 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.539 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -46.04 -36.61 5.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.915 0.388 . . . . 0.0 110.874 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -56.46 -37.38 70.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.522 ' O ' ' HB1' ' A' ' 32' ' ' ALA . . . 89.45 179.1 45.25 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.486 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.502 ' O ' HG13 ' A' ' 79' ' ' VAL . 19.0 tt -132.2 157.84 43.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.827 0.346 . . . . 0.0 111.113 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.521 ' CZ3' ' HD2' ' A' ' 40' ' ' ARG . 3.6 t90 -91.52 132.73 36.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.488 ' HA ' HD11 ' A' ' 57' ' ' LEU . 78.2 p -34.55 -58.24 0.49 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.521 ' HD2' ' CZ3' ' A' ' 38' ' ' TRP . 77.5 mtt-85 -52.04 -58.15 7.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 40' ' ' ARG . 4.9 t0 -34.56 -37.75 0.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.474 HG21 HD21 ' A' ' 57' ' ' LEU . 93.6 t -63.13 -48.01 89.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.48 ' N ' ' O ' ' A' ' 40' ' ' ARG . 27.1 mtp180 -42.48 -42.98 3.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -76.35 -58.1 3.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.645 ' CB ' HG21 ' A' ' 28' ' ' ILE . 14.0 mmmm -50.02 -61.22 2.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.467 ' N ' HD13 ' A' ' 28' ' ' ILE . 41.9 m -66.39 -22.36 66.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.887 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 67.16 26.49 8.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 31.1 mt -110.91 156.95 39.94 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.594 0.711 . . . . 0.0 110.943 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 153.67 68.78 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.749 2.299 . . . . 0.0 112.308 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.745 HD13 ' O ' ' A' ' 50' ' ' LEU . 1.1 tm? -46.28 -49.19 17.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.6 t -50.26 -28.43 7.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.166 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -86.28 -45.79 10.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.403 HD12 ' N ' ' A' ' 53' ' ' ILE . 1.8 mp -61.63 -33.66 58.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.104 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.526 ' ND2' HD11 ' A' ' 50' ' ' LEU . 9.5 m-20 -67.93 -53.13 28.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.472 ' HG3' ' N ' ' A' ' 56' ' ' ILE . 7.3 ptpp? -68.68 -34.22 75.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.767 HG21 HG21 ' A' ' 25' ' ' VAL . 57.6 mt -71.99 -50.17 39.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.117 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.915 HD13 ' CE2' ' A' ' 80' ' ' TYR . 16.3 mt -53.83 -40.93 66.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.947 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 59' ' ' ASN . 1.0 OUTLIER -69.45 -59.87 2.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.946 179.808 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 58' ' ' LYS . 27.1 m-20 -35.13 -59.02 0.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.445 ' CB ' HG12 ' A' ' 66' ' ' ILE . 90.2 mt -51.17 -48.11 61.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.474 ' OE2' ' N ' ' A' ' 68' ' ' ALA . 30.7 mt-10 -57.0 -15.47 5.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t -98.83 -32.22 11.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -78.36 9.48 3.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt 62.98 41.56 8.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.432 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 73.2 mt -112.64 -35.05 5.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.697 HD12 ' HB3' ' A' ' 80' ' ' TYR . 23.4 pt -140.15 176.62 5.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.45 ' HE3' ' CG2' ' A' ' 69' ' ' VAL . 46.5 pttt -153.18 165.15 36.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.474 ' N ' ' OE2' ' A' ' 61' ' ' GLU . . . -94.21 120.56 34.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.072 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.45 ' CG2' ' HE3' ' A' ' 67' ' ' LYS . 77.7 t -126.83 153.18 35.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.114 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.414 ' N ' HG12 ' A' ' 69' ' ' VAL . 10.0 mtpm? -113.71 151.66 31.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.926 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -108.32 167.17 10.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.866 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.447 ' O ' ' C ' ' A' ' 73' ' ' ALA . 7.7 p -67.85 -39.05 81.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.135 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 72' ' ' VAL . . . -33.58 -63.73 0.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.09 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.441 ' C ' ' HE2' ' A' ' 77' ' ' LYS . . . -146.71 -176.98 5.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.067 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 77' ' ' LYS . 10.3 m -109.52 -52.55 2.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.709 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.4 tppt? -62.11 74.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.933 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 75' ' ' SER . 15.1 mtmt -158.38 -175.3 5.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -157.77 119.7 3.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.502 HG13 ' O ' ' A' ' 37' ' ' ILE . 39.8 t -121.42 134.39 64.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.915 ' CE2' HD13 ' A' ' 57' ' ' LEU . 92.2 m-85 -115.09 113.75 24.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.925 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 16.6 ptp -127.62 172.79 10.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.461 ' HB2' ' CD1' ' A' ' 85' ' ' LEU . 15.8 mt -49.37 136.51 15.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -75.64 -30.9 59.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -65.36 -40.16 93.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.936 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.461 ' CD1' ' HB2' ' A' ' 82' ' ' LEU . 95.5 mt -51.91 121.87 7.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 19.0 m -42.2 -56.63 2.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 72.79 -158.83 53.34 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.451 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 116.11 4.41 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.719 2.279 . . . . 0.0 112.294 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 55.3 p -153.56 124.85 7.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 31.4 t -81.87 115.63 21.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.881 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.466 -179.977 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.7 p -143.44 161.07 39.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.912 0.387 . . . . 0.0 110.891 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.3 t -158.85 127.88 5.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.818 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.05 144.69 11.15 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.484 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.6 m -120.43 127.98 52.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.84 0.352 . . . . 0.0 110.913 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -92.9 -51.12 5.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.26 127.97 1.01 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -97.71 -52.29 3.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.826 0.346 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.9 m 55.36 42.23 30.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 11.3 tp60 -54.03 140.76 30.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.959 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -78.2 165.74 23.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -87.7 -44.02 11.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.069 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -93.57 85.4 1.09 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.472 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.3 pttt -115.64 125.59 53.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.753 0.311 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 7.5 ttp -79.82 177.84 8.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -86.8 125.6 34.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.826 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 143.95 110.62 0.74 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.51 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.0 m -57.04 -59.61 4.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.871 0.367 . . . . 0.0 110.847 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -67.98 -176.15 0.66 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.835 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.463 ' CB ' ' HD3' ' A' ' 23' ' ' LYS . 5.2 p30 -128.56 51.81 1.97 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.664 ' O ' HG23 ' A' ' 25' ' ' VAL . 2.0 mp0 -99.59 -52.89 3.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -66.46 -25.41 66.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.479 ' HG3' ' N ' ' A' ' 24' ' ' LEU . 16.6 ptmt -83.6 -44.65 14.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.479 ' N ' ' HG3' ' A' ' 23' ' ' LYS . 16.4 tp -60.36 -33.04 71.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 21' ' ' GLN . 57.3 t -76.05 -36.37 31.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.455 ' HA ' HD12 ' A' ' 29' ' ' ILE . 49.6 t80 -68.01 -33.01 73.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -72.84 -22.43 60.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 43.7 mt -84.04 -27.79 7.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.168 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.545 HD13 HD13 ' A' ' 66' ' ' ILE . 45.8 mt -73.73 -50.44 29.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.106 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -61.53 -24.45 66.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -72.3 -35.82 68.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.851 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.645 ' HB1' ' O ' ' A' ' 36' ' ' GLY . . . -53.21 -39.04 63.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.112 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.49 -171.31 41.62 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.475 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -49.65 -32.78 13.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.869 0.366 . . . . 0.0 110.893 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 66.7 mttt -56.06 -39.89 72.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.645 ' O ' ' HB1' ' A' ' 32' ' ' ALA . . . 94.88 -174.6 33.1 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.49 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.558 HD13 HG22 ' A' ' 42' ' ' VAL . 14.4 tt -147.26 140.99 19.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.792 0.33 . . . . 0.0 111.173 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.587 ' CZ3' ' HD3' ' A' ' 40' ' ' ARG . 0.9 OUTLIER -82.64 130.18 35.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.635 ' HA ' HD11 ' A' ' 57' ' ' LEU . 2.5 t -34.29 -42.16 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.826 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.587 ' HD3' ' CZ3' ' A' ' 38' ' ' TRP . 33.5 mtp180 -63.47 -55.05 27.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -40.41 -32.69 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.628 HG11 HG13 ' A' ' 25' ' ' VAL . 30.6 t -71.02 -54.84 16.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.142 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 42' ' ' VAL . 20.4 mtp180 -34.36 -43.54 0.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.836 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.41 ' CE2' ' O ' ' A' ' 40' ' ' ARG . 2.0 m-85 -73.72 -53.83 9.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.95 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.7 mmtm -57.66 -60.9 2.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.895 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.51 ' CB ' HG22 ' A' ' 25' ' ' VAL . 76.4 p -65.86 -16.02 63.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.787 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 52.4 m-80 57.89 25.62 12.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.441 ' HB2' HD11 ' A' ' 53' ' ' ILE . 26.9 mt -105.29 157.94 33.28 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.605 0.717 . . . . 0.0 110.939 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 154.39 67.51 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.678 2.252 . . . . 0.0 112.348 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.569 HD13 ' C ' ' A' ' 50' ' ' LEU . 3.4 tm? -47.25 -45.23 23.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.9 t -58.68 -26.25 63.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.165 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.586 ' O ' HD12 ' A' ' 56' ' ' ILE . 31.0 mm-40 -85.25 -41.34 15.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.441 HD11 ' HB2' ' A' ' 48' ' ' LEU . 1.7 mp -67.43 -29.99 47.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.172 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -73.07 -53.12 11.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.454 ' HG3' ' N ' ' A' ' 56' ' ' ILE . 22.2 pttt -65.32 -33.93 77.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.586 HD12 ' O ' ' A' ' 52' ' ' GLU . 50.0 mt -73.6 -53.57 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.13 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.828 HD13 ' CE1' ' A' ' 80' ' ' TYR . 16.9 mt -53.8 -28.73 36.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.6 ttpt -85.22 -57.6 3.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 55' ' ' LYS . 2.0 m-80 -38.9 -49.14 1.65 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.841 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 40.8 mt -58.48 -46.91 85.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.683 ' OE2' ' HB2' ' A' ' 68' ' ' ALA . 11.3 mt-10 -54.83 -17.43 3.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 t -89.34 -29.54 19.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.84 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.3 mttm -84.72 7.54 20.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 53.2 mmtt 65.29 29.03 11.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 50.0 mt -93.53 -37.58 11.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.967 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.545 HD13 HD13 ' A' ' 29' ' ' ILE . 44.8 pt -140.35 -176.44 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.149 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 36.9 pttt -153.97 161.44 41.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.683 ' HB2' ' OE2' ' A' ' 61' ' ' GLU . . . -97.12 130.22 44.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.108 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 80.3 t -126.93 152.07 34.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.14 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.3 mmtm -115.05 148.59 38.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.2 t -112.95 161.8 16.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.412 HG13 ' N ' ' A' ' 73' ' ' ALA . 4.7 p -39.76 -43.2 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.081 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.412 ' N ' HG13 ' A' ' 72' ' ' VAL . . . -43.71 168.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.101 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -44.95 170.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.068 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 73.2 m -82.75 -1.54 51.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.2 mmtm -84.93 70.83 10.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.402 ' CB ' ' HE1' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -171.49 169.49 6.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.887 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.9 tppt? -153.65 106.61 2.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.929 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 6.8 t -103.83 143.19 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.191 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.828 ' CE1' HD13 ' A' ' 57' ' ' LEU . 89.2 m-85 -124.92 143.13 51.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 9.9 ptp -154.2 162.05 41.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.406 ' HB2' ' CD1' ' A' ' 85' ' ' LEU . 10.3 mt -44.1 139.04 2.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -74.24 -32.14 62.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.951 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -67.39 -40.15 85.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.406 ' CD1' ' HB2' ' A' ' 82' ' ' LEU . 79.8 mt -53.26 139.08 30.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 87.8 p -95.91 94.82 7.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -101.41 -174.37 28.55 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.461 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 154.07 68.2 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.653 2.235 . . . . 0.0 112.362 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 66.7 p -144.56 131.37 20.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.885 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 57.8 m -149.79 149.52 30.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.479 -179.95 . . . . . . . . 0 0 . 1 stop_ save_