data_1wfv_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 1wfv _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 ' 13' ' ' PHE . . . . . 0.555 ' CZ ' ' O ' ' A' ' 54' ' ' ARG . 6.7 p90 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.958 0.409 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 44.3 p -93.68 159.13 15.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.467 HG12 ' N ' ' A' ' 16' ' ' ASP . 84.2 t -117.32 143.41 27.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.467 ' N ' HG12 ' A' ' 15' ' ' VAL . 24.3 t0 -135.35 118.92 16.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.6 mtm -152.93 163.9 38.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -117.76 175.25 5.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 86' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.647 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -152.89 142.82 22.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.836 0.35 . . . . 0.0 110.902 -179.889 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.5 t -118.17 168.83 10.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.824 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -130.55 168.65 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.098 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.451 ' CD ' ' CE ' ' A' ' 36' ' ' MET . 0.0 OUTLIER -146.29 164.92 30.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.42 ' CA ' ' HG3' ' A' ' 36' ' ' MET . . . 76.8 -172.97 54.85 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.483 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 132.3 165.2 11.22 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.481 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -46.82 -32.36 3.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.753 0.311 . . . . 0.0 110.869 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -58.38 -36.73 73.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -109.21 6.88 25.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 49.3 mmtm 58.77 53.91 5.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.451 ' CE ' ' CD ' ' A' ' 29' ' ' ARG . 3.3 ptm -157.82 160.11 37.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.499 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . 2.4 m-20 -64.22 170.66 3.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.898 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.3 mt -98.16 118.44 34.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.499 ' CZ ' ' HB2' ' A' ' 37' ' ' ASP . 1.9 m-85 -118.64 168.18 10.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.922 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 76.6 t -85.34 101.72 10.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.137 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.496 ' CD1' ' C ' ' A' ' 41' ' ' LEU . 0.6 OUTLIER -49.04 -67.31 0.28 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.469 ' HD3' ' N ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -147.36 -179.87 7.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.469 ' N ' ' HD3' ' A' ' 42' ' ' ARG . 11.8 mt -131.37 150.53 52.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.944 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.45 118.87 27.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.079 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -58.66 -33.3 69.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -111.54 36.66 3.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -119.97 165.18 13.56 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.531 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -16.2 37.49 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.742 2.294 . . . . 0.0 112.336 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.25 -60.72 2.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.105 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 9.4 tt -55.32 -15.29 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.16 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 39.4 mtp180 -94.2 -19.28 20.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -65.72 -57.0 9.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.47 ' O ' ' CD ' ' A' ' 56' ' ' ARG . . . 98.03 -53.71 1.21 Allowed Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.475 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.555 ' O ' ' CZ ' ' A' ' 13' ' ' PHE . 17.8 mmt180 -40.35 -30.73 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.756 0.312 . . . . 0.0 110.851 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -123.74 139.66 53.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.47 ' CD ' ' O ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -132.62 -176.11 3.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.84 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.0 t -91.0 117.02 33.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.116 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 114.88 19.54 5.99 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.472 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.43 176.43 5.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.723 0.296 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.495 ' NE2' ' O ' ' A' ' 61' ' ' ILE . 1.4 tm0? -120.48 118.23 29.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.495 ' O ' ' NE2' ' A' ' 60' ' ' GLN . 14.4 mt -86.39 119.99 35.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.421 ' CG1' HD22 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -101.04 -18.06 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 179.872 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -142.09 151.72 42.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 78.5 mt -142.84 116.97 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.114 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 33.2 m-20 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.88 179.88 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 4.9 mtm . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.842 0.353 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 76' ' ' ARG . 35.5 p -106.38 145.81 31.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.414 ' C ' ' O ' ' A' ' 73' ' ' THR . 18.7 t-160 -37.2 -34.22 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.69 -46.78 83.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.115 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 73' ' ' THR . 6.7 tpt180 -54.7 -64.27 0.89 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -45.87 -33.06 2.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.105 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.6 mm -70.48 -32.39 49.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.13 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -84.02 -24.69 30.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 26.6 mt -67.92 -39.15 83.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 21.2 mt -63.83 -30.91 51.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.8 ptpt -97.04 -15.82 20.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 33.9 t -75.64 -34.65 60.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.832 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -71.33 -39.95 61.21 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.5 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 132.11 -127.83 5.06 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.497 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 19' ' ' LYS . 8.7 mtt-85 -94.31 -18.73 21.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.82 0.343 . . . . 0.0 110.879 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 31.3 mtm180 -109.47 122.81 48.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.48 HG23 ' CD2' ' A' ' 90' ' ' LEU . 8.8 p -122.96 124.68 70.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.12 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 17.4 ttp85 -118.74 112.49 19.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.48 ' CD2' HG23 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -125.56 146.71 49.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.421 HD22 ' CG1' ' A' ' 62' ' ' ILE . 3.6 tt -84.69 112.83 20.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.493 ' CD1' ' CG1' ' A' ' 61' ' ' ILE . 6.7 tp . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.461 ' CE1' ' O ' ' A' ' 54' ' ' ARG . 19.4 p90 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.97 0.414 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 51.4 p -93.75 162.22 14.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.092 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 32.7 t -126.04 145.66 33.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.127 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -135.82 123.24 21.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.5 mtm -155.45 174.89 14.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.402 ' HA ' ' O ' ' A' ' 86' ' ' ARG . 3.8 mp0 -116.94 174.26 6.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.83 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 86' ' ' ARG . 13.0 ttmm . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.647 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -153.15 138.35 17.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.868 0.366 . . . . 0.0 110.877 -179.888 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.2 t -112.36 164.65 13.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.838 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.467 ' CD1' ' HB2' ' A' ' 77' ' ' ALA . 0.5 OUTLIER -126.95 168.63 19.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.117 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.427 ' HA ' ' CE1' ' A' ' 74' ' ' HIS . 5.1 ptp85 -147.54 161.51 40.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.43 -167.69 53.31 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.505 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 132.01 168.58 12.11 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.487 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.435 ' NE ' ' HA ' ' A' ' 32' ' ' ARG . 3.2 mmp_? -49.16 -27.96 3.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.812 0.339 . . . . 0.0 110.884 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -61.86 -35.69 79.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -108.98 11.32 25.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 47.1 mmtt 57.85 47.26 15.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.2 ptm -152.45 162.55 41.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.49 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 0.4 OUTLIER -69.7 170.92 9.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.837 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.5 mt -95.76 116.14 28.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.49 ' CE1' ' O ' ' A' ' 37' ' ' ASP . 1.8 m-85 -113.43 167.31 10.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 39.7 t -82.64 101.55 7.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.131 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.45 ' CD1' ' C ' ' A' ' 41' ' ' LEU . 1.0 OUTLIER -53.67 -66.07 0.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.477 ' HG2' ' N ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -150.42 150.11 30.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.814 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.477 ' N ' ' HG2' ' A' ' 42' ' ' ARG . 12.1 mt -106.03 151.13 25.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.69 118.58 29.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.419 ' HA ' ' CD1' ' A' ' 50' ' ' ILE . 7.9 pt-20 -59.67 -23.84 63.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.855 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -116.51 25.77 10.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -108.41 167.42 13.21 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.506 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -26.77 27.06 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.648 2.232 . . . . 0.0 112.357 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.441 ' CB ' ' HB3' ' A' ' 26' ' ' PHE . . . -65.61 -63.96 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.116 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.419 ' CD1' ' HA ' ' A' ' 45' ' ' GLU . 5.1 tt -46.98 -23.73 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.148 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 66.3 mtp180 -82.91 -31.26 27.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 49' ' ' ALA . 0.4 OUTLIER -58.06 -59.46 5.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.495 ' O ' ' N ' ' A' ' 55' ' ' MET . . . 98.65 -53.6 1.11 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.499 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.461 ' O ' ' CE1' ' A' ' 13' ' ' PHE . 50.5 mmt-85 -36.84 -29.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.769 0.319 . . . . 0.0 110.878 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.495 ' N ' ' O ' ' A' ' 53' ' ' GLY . 3.1 ptm -125.28 146.11 49.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.452 ' NH1' ' O ' ' A' ' 53' ' ' GLY . 5.3 mpt_? -140.13 -177.3 4.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 88.0 t -81.07 138.63 19.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.139 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 96.22 -24.82 28.51 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.482 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.52 ' CB ' ' CD2' ' A' ' 92' ' ' LEU . 6.0 m-20 -54.81 169.33 0.22 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.8 0.333 . . . . 0.0 110.84 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.495 ' NE2' ' O ' ' A' ' 61' ' ' ILE . 1.4 tm0? -121.43 117.68 27.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.503 ' CG1' ' CD1' ' A' ' 92' ' ' LEU . 6.7 mt -90.55 127.36 43.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.113 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.513 ' CD1' ' N ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -105.4 -16.87 7.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 179.878 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -140.66 149.04 41.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 56.1 mt -141.19 119.9 10.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.162 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.41 ' ND2' ' O ' ' A' ' 80' ' ' LEU . 29.5 m-20 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.1 mtm . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.84 0.352 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 44.9 p -94.99 158.69 15.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.119 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.427 ' CE1' ' HA ' ' A' ' 29' ' ' ARG . 13.5 t-160 -44.27 -29.48 0.66 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.63 -50.33 38.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -49.6 -53.04 26.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.467 ' HB2' ' CD1' ' A' ' 28' ' ' ILE . . . -54.2 -50.13 67.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.089 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.9 mm -60.16 -16.96 13.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.072 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -95.21 -33.46 12.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.41 ' O ' ' ND2' ' A' ' 65' ' ' ASN . 30.7 mt -70.19 -40.26 74.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 20.7 mt -57.51 -32.7 42.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.159 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 7.3 ptpt -97.18 -12.08 23.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.6 t -81.17 -30.08 34.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.823 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -70.6 -43.39 60.7 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.501 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 134.7 -130.44 5.51 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.463 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 19' ' ' LYS . 6.8 mtm-85 -90.8 -24.34 20.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.79 0.328 . . . . 0.0 110.87 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 -109.3 130.62 55.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.414 HG21 ' CD2' ' A' ' 90' ' ' LEU . 11.9 p -124.86 142.19 42.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.131 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 42.6 ttt180 -133.25 121.17 22.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.414 ' CD2' HG21 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -135.89 150.19 49.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.47 HD23 ' CG1' ' A' ' 62' ' ' ILE . 3.7 tt -88.89 117.48 27.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.52 ' CD2' ' CB ' ' A' ' 59' ' ' ASP . 6.8 tp . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.482 ' CZ ' ' O ' ' A' ' 54' ' ' ARG . 11.4 p90 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.969 0.414 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 76.1 p -95.64 162.47 13.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.196 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 44.5 t -119.79 144.62 27.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.121 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -135.56 114.34 11.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.851 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.0 mtm -147.41 168.44 21.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.446 ' CG ' ' HG2' ' A' ' 87' ' ' ARG . 3.1 mt-10 -117.42 170.02 9.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 86' ' ' ARG . 12.3 ttmt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.628 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -153.3 137.17 16.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.884 0.374 . . . . 0.0 110.883 -179.887 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.6 t -111.02 158.28 18.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.841 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -123.18 170.08 13.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.136 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.438 ' HA ' ' CE1' ' A' ' 74' ' ' HIS . 10.8 ptt180 -150.49 165.32 33.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.866 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.05 -167.71 53.64 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.46 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.52 167.74 12.26 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.477 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -45.68 -34.52 3.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.781 0.324 . . . . 0.0 110.847 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -56.36 -39.99 73.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -104.57 18.09 22.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 68.8 mmtt 49.8 46.91 23.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 4.0 ptm -151.43 169.89 20.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.587 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 0.7 OUTLIER -77.3 170.63 16.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.88 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.3 mt -94.36 122.58 37.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.587 ' CE1' ' O ' ' A' ' 37' ' ' ASP . 1.0 OUTLIER -122.84 168.1 12.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.447 ' CG1' ' HE3' ' A' ' 55' ' ' MET . 41.5 t -81.42 102.98 7.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.187 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.464 ' CD1' ' C ' ' A' ' 41' ' ' LEU . 1.0 OUTLIER -55.3 -63.77 1.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.466 ' HG2' ' N ' ' A' ' 43' ' ' LEU . 0.5 OUTLIER -153.86 151.48 29.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.466 ' N ' ' HG2' ' A' ' 42' ' ' ARG . 11.9 mt -104.12 147.26 27.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.408 ' O ' ' CG2' ' A' ' 50' ' ' ILE . . . -85.21 118.5 24.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.142 179.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.445 ' HA ' ' CD1' ' A' ' 50' ' ' ILE . 11.4 pt-20 -61.52 -20.75 63.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -116.16 31.77 6.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -122.56 164.57 15.53 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.512 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.41 ' N ' HH21 ' A' ' 51' ' ' ARG . 53.6 Cg_endo -69.8 -23.5 30.53 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.668 2.245 . . . . 0.0 112.328 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.435 ' CB ' ' HB3' ' A' ' 26' ' ' PHE . . . -65.62 -55.01 19.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.116 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.445 ' CD1' ' HA ' ' A' ' 45' ' ' GLU . 16.0 tt -58.2 -18.38 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.41 HH21 ' N ' ' A' ' 48' ' ' PRO . 48.2 mtm180 -94.62 -18.16 21.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -64.2 -55.75 19.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.422 ' O ' ' N ' ' A' ' 55' ' ' MET . . . 96.0 -54.26 1.61 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.506 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.482 ' O ' ' CZ ' ' A' ' 13' ' ' PHE . 66.0 mtt85 -37.61 -32.01 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.841 0.353 . . . . 0.0 110.885 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.447 ' HE3' ' CG1' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -124.58 150.21 46.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.0 mpt_? -142.31 -178.13 5.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 94.4 t -84.63 122.81 38.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.132 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 116.04 -33.94 4.95 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.492 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.406 ' CB ' HD21 ' A' ' 92' ' ' LEU . 57.2 m-20 -50.98 168.75 0.05 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.788 0.328 . . . . 0.0 110.812 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.435 ' NE2' ' O ' ' A' ' 61' ' ' ILE . 17.0 tm0? -117.41 121.56 41.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.963 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.5 ' CG1' ' CD1' ' A' ' 92' ' ' LEU . 8.4 mt -93.52 128.63 44.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.41 ' N ' HD13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -107.36 -20.41 6.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 179.854 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -137.83 148.66 45.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 75.8 mt -141.4 123.98 14.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.092 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.422 ' ND2' ' O ' ' A' ' 80' ' ' LEU . 25.9 m-20 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 9.3 mtm . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.854 0.359 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 75' ' ' ALA . 67.6 p -107.17 146.5 31.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.438 ' CE1' ' HA ' ' A' ' 29' ' ' ARG . 13.6 t-160 -34.44 -36.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 73' ' ' THR . . . -61.26 -54.03 49.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.472 ' NE ' HD23 ' A' ' 80' ' ' LEU . 6.2 tpt180 -47.67 -55.8 8.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -49.66 -48.8 49.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.12 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.5 mm -60.82 -21.2 23.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.6 -33.25 16.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.828 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.472 HD23 ' NE ' ' A' ' 76' ' ' ARG . 40.2 mt -67.79 -39.66 84.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 24.7 mt -60.15 -33.76 54.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.158 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -97.44 -19.37 18.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.0 t -77.26 -30.12 54.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.872 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -68.63 -46.99 59.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.473 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 137.16 -132.0 5.8 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.468 ' O ' ' N ' ' A' ' 19' ' ' LYS . 43.1 mtt180 -92.12 -21.53 20.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.816 0.341 . . . . 0.0 110.855 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.446 ' HG2' ' CG ' ' A' ' 18' ' ' GLU . 62.7 mtt180 -115.34 122.88 47.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.481 HG21 ' CD2' ' A' ' 90' ' ' LEU . 11.0 p -118.82 145.75 24.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.169 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.413 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 43.6 ttt180 -136.13 117.24 14.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.481 ' CD2' HG21 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -129.45 147.24 51.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.455 HD23 ' N ' ' A' ' 92' ' ' LEU . 4.0 tt -82.81 120.48 25.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.5 ' CD1' ' CG1' ' A' ' 61' ' ' ILE . 7.4 tp . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.542 ' CD1' ' O ' ' A' ' 92' ' ' LEU . 30.1 p90 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.951 0.405 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 64.4 p -103.93 157.33 17.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.162 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 44.6 t -114.39 143.32 24.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.146 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -135.64 110.85 8.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.5 mtm -145.39 178.5 8.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.459 ' CG ' ' HG2' ' A' ' 87' ' ' ARG . 7.9 mt-10 -128.25 173.74 9.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 86' ' ' ARG . 9.2 ttmt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.636 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -152.32 143.24 23.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.853 0.359 . . . . 0.0 110.84 -179.847 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.5 t -115.28 172.18 7.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.405 ' O ' ' NE2' ' A' ' 74' ' ' HIS . 0.6 OUTLIER -136.49 170.26 18.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.183 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.486 ' HA ' ' CE1' ' A' ' 74' ' ' HIS . 4.7 ptp180 -151.25 170.06 20.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.45 -171.26 51.7 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.474 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 130.89 171.76 12.97 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.5 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.5 mmt180 -50.64 -27.32 6.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.778 0.323 . . . . 0.0 110.883 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -62.55 -32.81 73.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -114.68 12.13 17.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.96 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.82 53.63 10.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.3 ptm -157.54 163.02 38.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.553 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 1.2 m-20 -67.34 171.0 6.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.5 mt -97.65 117.69 32.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.553 ' CE1' ' O ' ' A' ' 37' ' ' ASP . 0.4 OUTLIER -119.47 163.61 17.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 64.8 t -78.89 111.62 15.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.125 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -61.07 -57.61 11.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.479 ' HG2' ' N ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -158.73 149.3 19.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.479 ' N ' ' HG2' ' A' ' 42' ' ' ARG . 10.8 mt -100.55 151.07 22.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -86.39 116.68 24.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -63.11 -22.77 67.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -113.12 15.67 19.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -103.35 167.07 16.46 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.47 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -29.02 24.28 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.678 2.252 . . . . 0.0 112.336 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.32 -60.88 3.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.074 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 5.6 tt -53.35 -16.83 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.127 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.2 mtp-105 -89.76 -27.28 20.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.59 -58.26 8.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 55' ' ' MET . . . 98.85 -54.21 1.05 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.489 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.511 ' O ' ' CE2' ' A' ' 13' ' ' PHE . 11.9 mmp_? -37.46 -31.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.821 0.344 . . . . 0.0 110.85 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.447 ' N ' ' O ' ' A' ' 53' ' ' GLY . 2.2 ptm -127.24 140.43 52.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.448 ' HA ' ' CD1' ' A' ' 43' ' ' LEU . 0.4 OUTLIER -135.99 171.5 14.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.891 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -79.98 128.84 38.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.155 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 112.67 2.2 25.71 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.528 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -92.76 170.69 9.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.739 0.304 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 61' ' ' ILE . 5.8 tm0? -112.18 114.54 27.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.444 ' O ' ' NE2' ' A' ' 60' ' ' GLN . 23.7 mt -83.05 125.65 40.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.494 ' CD1' ' N ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -103.16 -23.96 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.87 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -137.38 154.7 49.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.421 ' CD1' ' HB3' ' A' ' 77' ' ' ALA . 96.1 mt -142.48 115.17 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.469 ' ND2' ' O ' ' A' ' 80' ' ' LEU . 34.0 m-20 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.829 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 4.1 mtm . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.819 0.342 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.418 ' O ' ' N ' ' A' ' 75' ' ' ALA . 35.6 p -97.55 148.89 22.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.133 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.486 ' CE1' ' HA ' ' A' ' 29' ' ' ARG . 17.1 t-160 -40.07 -28.38 0.05 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 73' ' ' THR . . . -69.68 -49.89 49.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.103 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.407 ' NE ' HD22 ' A' ' 80' ' ' LEU . 7.7 tpt180 -54.17 -59.4 4.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.421 ' HB3' ' CD1' ' A' ' 64' ' ' ILE . . . -48.49 -34.55 11.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.163 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.8 mm -69.34 -27.51 34.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 76' ' ' ARG . 1.8 pt-20 -88.5 -23.59 23.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.469 ' O ' ' ND2' ' A' ' 65' ' ' ASN . 83.3 mt -71.65 -42.87 67.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 23.8 mt -57.61 -32.41 42.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.162 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -97.22 -16.27 20.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 39.0 t -73.84 -32.52 63.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -69.15 -39.98 82.82 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.534 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 130.4 -139.71 11.17 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.51 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 19' ' ' LYS . 15.7 mtm180 -82.29 -22.51 35.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.79 0.328 . . . . 0.0 110.867 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.459 ' HG2' ' CG ' ' A' ' 18' ' ' GLU . 70.7 mtp180 -112.47 123.06 49.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.481 HG22 ' CD2' ' A' ' 90' ' ' LEU . 10.6 p -118.85 147.21 22.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.149 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 19.9 ttm180 -140.72 116.91 10.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.481 ' CD2' HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -127.78 150.5 49.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.47 HD22 ' CG1' ' A' ' 62' ' ' ILE . 2.0 tt -87.18 112.0 21.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.542 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 8.5 tp . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.495 ' CE1' ' O ' ' A' ' 54' ' ' ARG . 32.7 p90 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.929 0.395 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 59.2 p -102.72 156.54 17.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.105 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.467 HG13 ' N ' ' A' ' 16' ' ' ASP . 66.5 t -114.01 143.78 23.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.107 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.467 ' N ' HG13 ' A' ' 15' ' ' VAL . 36.8 t70 -135.29 115.98 13.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.8 mtm -151.68 171.73 17.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.871 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -117.09 174.69 5.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 86' ' ' ARG . 35.4 ttmt . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.654 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -153.09 140.93 20.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.869 0.366 . . . . 0.0 110.896 -179.898 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.2 t -117.95 165.23 13.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.467 ' CD1' ' HB3' ' A' ' 77' ' ' ALA . 0.4 OUTLIER -126.55 169.88 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.12 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.458 ' HA ' ' CE1' ' A' ' 74' ' ' HIS . 4.0 ptp180 -145.99 165.06 30.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.5 -167.11 53.81 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 132.05 168.21 12.02 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.521 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -52.41 -19.03 1.9 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.747 0.308 . . . . 0.0 110.864 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -69.13 -36.41 77.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -107.87 8.04 28.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.6 mptt 60.79 50.36 5.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.2 ptm -153.88 167.06 30.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.545 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 22.6 m-20 -73.4 170.51 14.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.4 mt -94.57 117.53 30.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.918 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.545 ' CE1' ' O ' ' A' ' 37' ' ' ASP . 1.5 m-85 -118.01 167.1 11.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 29.7 t -76.5 112.54 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.133 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.415 ' C ' HD11 ' A' ' 41' ' ' LEU . 3.5 tm? -66.87 -60.78 2.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.458 ' HG2' ' N ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -155.35 149.28 25.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.458 ' N ' ' HG2' ' A' ' 42' ' ' ARG . 11.8 mt -107.22 150.2 26.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.82 117.87 28.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.107 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -62.46 -15.12 48.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -121.17 12.24 11.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -96.76 168.24 24.83 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.492 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -25.75 28.45 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.702 2.268 . . . . 0.0 112.364 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 52' ' ' ASN . . . -64.42 -66.03 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.8 tt -45.96 -22.75 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -84.84 -32.25 23.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.846 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 49' ' ' ALA . 0.3 OUTLIER -58.1 -59.4 5.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.917 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' A' ' 55' ' ' MET . . . 99.36 -54.09 0.99 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.434 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.495 ' O ' ' CE1' ' A' ' 13' ' ' PHE . 16.5 mmt85 -34.52 -32.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.789 0.328 . . . . 0.0 110.861 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.5 ' N ' ' O ' ' A' ' 53' ' ' GLY . 4.1 ptm -123.92 144.94 49.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.419 ' HD3' ' C ' ' A' ' 55' ' ' MET . 0.4 OUTLIER -138.02 -176.32 4.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.831 -179.89 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.454 HG12 ' N ' ' A' ' 58' ' ' GLY . 57.7 t -85.5 140.51 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.454 ' N ' HG12 ' A' ' 57' ' ' VAL . . . 92.31 3.77 66.95 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.472 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.477 ' CB ' ' CD2' ' A' ' 92' ' ' LEU . 4.0 m-20 -87.54 166.77 14.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.769 0.318 . . . . 0.0 110.841 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.465 ' NE2' ' O ' ' A' ' 61' ' ' ILE . 1.4 tm0? -113.22 119.02 36.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.513 ' CG1' ' CD1' ' A' ' 92' ' ' LEU . 12.4 mt -90.84 122.8 42.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -100.45 -35.05 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.161 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -120.56 145.33 47.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 50.9 mt -137.77 110.49 7.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.127 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.481 ' ND2' ' O ' ' A' ' 80' ' ' LEU . 34.2 m-20 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 4.9 mtm . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.851 0.357 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 40.7 p -91.87 154.67 18.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.458 ' CE1' ' HA ' ' A' ' 29' ' ' ARG . 9.5 t-160 -40.46 -33.09 0.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.83 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.23 -54.96 21.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.08 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -48.75 -47.95 41.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.865 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.467 ' HB3' ' CD1' ' A' ' 28' ' ' ILE . . . -58.28 -47.76 82.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.108 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.8 mm -62.45 -17.95 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.083 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -93.72 -33.05 13.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.481 ' O ' ' ND2' ' A' ' 65' ' ' ASN . 24.9 mt -68.85 -35.58 77.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 21.3 mt -62.56 -35.5 70.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -97.08 -12.76 22.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.5 t -74.03 -34.87 64.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -70.05 -42.53 67.84 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.474 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 134.94 -131.88 6.04 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.506 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 19' ' ' LYS . 49.0 mtt180 -90.68 -18.36 25.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.756 0.312 . . . . 0.0 110.869 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.468 ' CZ ' ' HB2' ' A' ' 87' ' ' ARG . 21.4 mtm105 -111.55 123.84 51.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.456 HG21 ' N ' ' A' ' 89' ' ' ARG . 10.9 p -122.39 144.73 30.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.456 ' N ' HG21 ' A' ' 88' ' ' VAL . 17.0 ttm180 -139.04 114.13 9.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.851 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -127.8 147.71 50.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.953 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.466 HD23 ' N ' ' A' ' 92' ' ' LEU . 3.2 tt -88.43 115.39 25.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.513 ' CD1' ' CG1' ' A' ' 61' ' ' ILE . 10.2 tp . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.939 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.625 ' CD1' ' O ' ' A' ' 92' ' ' LEU . 30.3 p90 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.987 0.422 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 76.6 p -100.84 155.38 17.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 85.3 t -110.55 142.55 22.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -135.81 114.54 11.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.3 mtm -150.3 174.72 12.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -119.42 175.07 6.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 86' ' ' ARG . 26.2 ttmt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.654 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -153.04 143.62 22.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.9 0.381 . . . . 0.0 110.857 -179.881 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 46.6 t -118.99 164.37 15.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.808 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.466 ' CD1' ' HB1' ' A' ' 77' ' ' ALA . 0.7 OUTLIER -124.06 169.21 15.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.104 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.574 ' HA ' ' CE1' ' A' ' 74' ' ' HIS . 1.2 ptp180 -148.25 156.02 42.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.63 -172.48 53.44 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 138.37 171.08 12.04 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.527 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.8 mmm180 -55.5 -17.58 5.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.765 0.317 . . . . 0.0 110.837 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.4 ' N ' HG23 ' A' ' 73' ' ' THR . 5.1 tp10 -72.87 -32.52 65.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -108.92 6.29 25.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.3 mptt 64.55 41.32 5.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.925 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 2.7 ptm -147.92 165.32 31.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.528 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 3.8 m-20 -72.54 170.98 13.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.854 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.5 mt -95.59 118.15 31.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.946 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.528 ' CE1' ' O ' ' A' ' 37' ' ' ASP . 1.4 m-85 -117.34 167.78 10.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 86.6 t -82.56 100.13 6.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.128 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.417 HD11 ' CG ' ' A' ' 42' ' ' ARG . 3.3 tm? -49.17 -65.3 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.477 ' HD3' ' N ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -147.42 -177.82 5.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.477 ' N ' ' HD3' ' A' ' 42' ' ' ARG . 10.8 mt -134.74 147.61 50.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.958 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -88.34 120.04 29.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.068 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -60.84 -24.45 65.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -116.06 23.85 11.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -104.77 168.42 16.03 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.452 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -26.35 27.77 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.727 2.285 . . . . 0.0 112.387 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 52' ' ' ASN . . . -65.29 -67.05 0.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.137 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.5 tt -44.75 -21.65 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 51.8 mtp85 -87.08 -33.29 19.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.825 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 49' ' ' ALA . 0.4 OUTLIER -56.77 -57.54 12.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.918 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.502 ' O ' ' N ' ' A' ' 55' ' ' MET . . . 96.41 -53.53 1.53 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.469 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.45 ' O ' ' CZ ' ' A' ' 13' ' ' PHE . 14.5 mtp180 -36.37 -29.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.779 0.323 . . . . 0.0 110.863 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.502 ' N ' ' O ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -123.09 161.94 23.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.424 ' HD3' ' C ' ' A' ' 55' ' ' MET . 1.3 mpp_? -155.89 -175.19 5.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.861 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 42.7 t -86.93 135.17 25.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.151 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 99.47 7.41 54.07 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.48 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.42 ' HB3' ' CG ' ' A' ' 92' ' ' LEU . 70.0 m-20 -90.34 157.24 17.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.78 0.324 . . . . 0.0 110.85 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.501 ' NE2' ' O ' ' A' ' 61' ' ' ILE . 3.6 tm0? -109.07 109.55 20.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.501 ' O ' ' NE2' ' A' ' 60' ' ' GLN . 8.0 mt -82.25 136.23 23.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.116 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.459 ' N ' HD11 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -116.85 -26.65 2.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.163 179.855 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -130.64 135.27 47.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 50.3 mt -132.34 123.51 50.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.099 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.422 ' ND2' ' O ' ' A' ' 80' ' ' LEU . 51.5 m-20 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 5.5 mtm . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.877 0.37 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.4 HG23 ' N ' ' A' ' 33' ' ' GLU . 49.1 p -91.88 166.9 12.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.167 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.574 ' CE1' ' HA ' ' A' ' 29' ' ' ARG . 9.3 t-160 -53.83 -24.02 14.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.938 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.03 -51.39 16.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.074 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -48.75 -54.77 13.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.466 ' HB1' ' CD1' ' A' ' 28' ' ' ILE . . . -52.78 -50.06 64.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.088 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.8 mm -60.19 -17.77 14.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.92 -33.62 12.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.422 ' O ' ' ND2' ' A' ' 65' ' ' ASN . 33.8 mt -69.78 -38.99 76.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.952 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 12.5 mt -58.71 -32.47 46.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.145 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -97.11 -14.88 21.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.4 t -78.78 -31.75 46.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -70.39 -34.59 68.61 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.521 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 127.37 -127.94 6.0 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.483 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 19' ' ' LYS . 18.8 mtt-85 -96.43 -17.98 20.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.787 0.327 . . . . 0.0 110.889 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 26.1 mtp85 -111.85 127.55 55.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.469 HG22 ' CD2' ' A' ' 90' ' ' LEU . 14.3 p -123.41 140.35 47.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.159 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 5.5 ttp180 -133.68 121.54 22.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.469 ' CD2' HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -136.81 149.2 47.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.2 tt -82.6 129.04 34.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.966 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.625 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 11.0 tp . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.939 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.544 ' CE1' ' O ' ' A' ' 54' ' ' ARG . 18.4 p90 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.944 0.402 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 32.2 p -101.07 158.99 15.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.114 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 39.4 t -113.98 143.35 23.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.145 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -135.62 114.52 12.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.3 mtm -149.6 173.25 13.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -124.01 171.58 9.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 86' ' ' ARG . 9.7 ttmt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.922 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.611 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.4 OUTLIER -152.78 147.07 25.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.873 0.368 . . . . 0.0 110.884 -179.911 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.2 t -119.68 164.04 16.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -126.1 170.2 16.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.437 ' HD2' ' N ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -149.76 167.42 26.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.827 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.437 ' N ' ' HD2' ' A' ' 29' ' ' ARG . . . 74.27 -169.93 53.71 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.473 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 131.74 168.68 12.17 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -49.41 -27.25 3.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.767 0.318 . . . . 0.0 110.85 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.498 ' OE1' ' CZ ' ' A' ' 34' ' ' TYR . 4.4 tt0 -61.93 -36.06 80.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.498 ' CZ ' ' OE1' ' A' ' 33' ' ' GLU . 1.9 m-85 -110.59 11.75 22.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.6 mptt 54.44 52.73 11.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.886 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.435 ' CE ' ' CD ' ' A' ' 29' ' ' ARG . 3.6 ptm -155.67 161.61 40.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . 2.8 m-20 -66.0 171.04 4.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.7 mt -97.42 123.86 41.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.522 ' CZ ' ' HB2' ' A' ' 37' ' ' ASP . 2.4 m-85 -124.58 163.81 21.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 85.1 t -79.15 100.93 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.052 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.42 ' CD1' ' C ' ' A' ' 41' ' ' LEU . 0.5 OUTLIER -49.06 -66.87 0.33 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.888 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.488 ' HG2' ' N ' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -152.3 149.26 28.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.854 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.488 ' N ' ' HG2' ' A' ' 42' ' ' ARG . 10.8 mt -98.48 151.18 20.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -91.16 113.33 25.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.096 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.454 ' HA ' ' CD1' ' A' ' 50' ' ' ILE . 11.9 pt-20 -58.32 -26.08 62.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -107.25 25.65 11.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -114.88 163.56 12.17 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.539 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -22.26 32.28 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.696 2.264 . . . . 0.0 112.374 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.05 -58.05 6.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.454 ' CD1' ' HA ' ' A' ' 45' ' ' GLU . 8.4 tt -52.67 -15.63 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 77.7 mtt180 -92.07 -26.78 18.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -61.77 -60.2 4.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.485 ' O ' ' N ' ' A' ' 55' ' ' MET . . . 100.29 -54.01 0.91 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.544 ' O ' ' CE1' ' A' ' 13' ' ' PHE . 21.2 mmt180 -36.48 -30.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.85 0.357 . . . . 0.0 110.93 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.485 ' N ' ' O ' ' A' ' 53' ' ' GLY . 3.2 ptm -128.99 143.51 50.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.465 ' HA ' ' CD1' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -141.15 171.41 14.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -78.12 122.33 32.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 117.71 0.93 17.72 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.513 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.43 ' CB ' ' CD2' ' A' ' 92' ' ' LEU . 1.1 m-20 -89.51 -177.02 5.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 110.875 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 61' ' ' ILE . 3.2 tm0? -123.37 116.77 23.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.498 ' O ' ' NE2' ' A' ' 60' ' ' GLN . 6.7 mt -86.87 121.36 37.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.163 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -104.98 -19.91 6.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.099 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.451 ' HB3' ' CB ' ' A' ' 91' ' ' LEU . 15.4 tp10 -136.75 155.5 49.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.834 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.418 HG23 ' CB ' ' A' ' 80' ' ' LEU . 72.3 mt -147.72 115.13 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.132 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.3 m-20 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 179.962 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 5.9 mtm . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.871 0.367 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 76' ' ' ARG . 53.0 p -100.77 147.74 25.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 17.7 t-160 -38.51 -36.95 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.827 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.71 -46.67 87.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 73' ' ' THR . 8.0 tpt180 -53.08 -64.86 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -46.35 -38.51 8.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.088 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.8 mm -62.58 -31.3 51.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' A' ' 76' ' ' ARG . 1.5 pt-20 -84.64 -28.19 26.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.418 ' CB ' HG23 ' A' ' 64' ' ' ILE . 46.9 mt -65.94 -38.88 89.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 20.4 mt -62.83 -30.29 49.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.167 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -97.32 -16.07 20.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.8 t -75.41 -34.22 61.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -68.28 -42.93 81.57 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.481 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 129.08 -140.69 11.91 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.454 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.469 ' O ' ' N ' ' A' ' 19' ' ' LYS . 15.6 mtt-85 -78.27 -25.23 46.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.863 0.363 . . . . 0.0 110.928 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 42.6 mtm180 -109.96 123.13 49.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.825 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.462 HG23 ' CD2' ' A' ' 90' ' ' LEU . 9.2 p -120.35 137.34 54.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.148 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 26.5 ttt180 -131.5 111.91 12.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.462 ' CD2' HG23 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -124.83 145.71 49.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.451 ' CB ' ' HB3' ' A' ' 63' ' ' GLU . 2.0 tt -86.37 108.99 18.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.945 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.47 ' CD1' HG12 ' A' ' 61' ' ' ILE . 10.8 tp . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.586 ' CD1' ' O ' ' A' ' 92' ' ' LEU . 19.6 p90 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.944 0.402 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 68.1 p -94.23 159.71 15.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.163 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.2 t -116.87 149.54 19.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.174 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -135.51 117.23 15.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.7 mtm -151.57 171.78 17.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.844 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -122.82 173.92 7.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 86' ' ' ARG . 1.5 ttmm . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.634 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -153.31 132.72 12.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.853 0.359 . . . . 0.0 110.849 -179.856 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 31.7 t -106.81 161.22 14.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -125.54 169.8 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.1 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.55 ' HA ' ' CE1' ' A' ' 74' ' ' HIS . 1.8 ptp180 -149.53 162.97 39.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.837 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.31 -173.01 54.17 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.488 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 131.7 175.66 14.09 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.465 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 -57.21 -12.41 2.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.814 0.34 . . . . 0.0 110.861 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.465 ' CG ' ' HB ' ' A' ' 73' ' ' THR . 19.0 mt-10 -76.75 -28.9 55.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -118.17 6.92 12.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.9 mmmm 61.53 49.04 5.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.889 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.2 ptm -153.7 163.52 39.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.582 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 0.8 OUTLIER -68.31 171.12 7.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.4 mt -95.4 117.05 29.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.582 ' CE1' ' O ' ' A' ' 37' ' ' ASP . 0.7 OUTLIER -116.75 168.17 10.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.4 t -82.13 106.57 13.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.131 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.402 ' C ' HD12 ' A' ' 41' ' ' LEU . 2.7 tm? -58.64 -65.23 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.475 ' HG2' ' N ' ' A' ' 43' ' ' LEU . 0.8 OUTLIER -149.97 150.46 31.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.475 ' N ' ' HG2' ' A' ' 42' ' ' ARG . 12.4 mt -102.87 151.21 22.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.52 114.46 24.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.094 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -54.61 -41.05 69.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -101.53 19.07 18.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -100.29 164.06 19.12 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.476 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -18.94 36.66 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.67 2.247 . . . . 0.0 112.346 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.42 -62.3 1.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 7.0 tt -51.2 -19.06 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.111 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -87.61 -27.32 22.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.04 -56.05 22.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.497 ' O ' ' CD ' ' A' ' 56' ' ' ARG . . . 95.19 -53.79 1.84 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.471 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.435 ' O ' ' CZ ' ' A' ' 13' ' ' PHE . 17.6 mmt85 -36.98 -29.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.75 0.31 . . . . 0.0 110.83 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.521 ' HE1' ' CG ' ' A' ' 26' ' ' PHE . 2.3 ptt? -127.64 137.7 52.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.497 ' CD ' ' O ' ' A' ' 53' ' ' GLY . 0.3 OUTLIER -134.67 -174.49 3.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.908 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 48.3 t -89.03 131.25 36.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.127 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 111.17 -7.32 28.91 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.482 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.479 ' HB2' ' CD2' ' A' ' 92' ' ' LEU . 1.3 m-20 -84.58 171.28 12.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.77 0.319 . . . . 0.0 110.887 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.598 HE21 ' N ' ' A' ' 61' ' ' ILE . 0.9 OUTLIER -117.8 124.5 48.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.598 ' N ' HE21 ' A' ' 60' ' ' GLN . 12.7 mt -95.61 119.89 44.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.432 ' CD1' ' N ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -98.38 -17.1 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.85 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -139.54 156.01 47.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 89.7 mt -147.23 113.39 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.163 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.495 ' ND2' ' O ' ' A' ' 80' ' ' LEU . 24.5 m-20 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 4.9 mtm . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.893 0.377 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.465 ' HB ' ' CG ' ' A' ' 33' ' ' GLU . 9.7 p -91.71 143.65 26.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.55 ' CE1' ' HA ' ' A' ' 29' ' ' ARG . 11.1 t-160 -34.05 -37.4 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 73' ' ' THR . . . -60.0 -53.73 54.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.066 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' A' ' 73' ' ' THR . 9.6 tpp180 -48.38 -52.07 23.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.836 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -53.01 -50.96 63.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 3.3 mm -57.17 -14.56 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.125 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.92 -41.97 8.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.495 ' O ' ' ND2' ' A' ' 65' ' ' ASN . 25.7 mt -59.62 -36.1 75.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 26.3 mt -62.64 -36.09 73.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.145 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.3 ptpt -96.43 -11.5 25.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.2 t -83.47 -28.38 28.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.838 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -71.79 -37.28 61.27 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.472 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 127.91 -137.38 9.74 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.492 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 19' ' ' LYS . 22.5 mtt-85 -86.34 -21.92 26.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.779 0.323 . . . . 0.0 110.868 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 58.4 mtt180 -114.22 122.85 48.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.448 HG22 ' CD2' ' A' ' 90' ' ' LEU . 7.7 p -118.74 143.74 28.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.171 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 21.9 ttm180 -137.26 112.45 9.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.448 ' CD2' HG22 ' A' ' 88' ' ' VAL . 0.1 OUTLIER -121.38 154.48 36.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.443 ' C ' ' CD2' ' A' ' 91' ' ' LEU . 2.2 tt -91.28 111.2 22.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.916 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.586 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 11.4 tp . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.605 ' CD1' ' O ' ' A' ' 92' ' ' LEU . 13.7 p90 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.96 0.41 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 77.2 p -92.93 161.48 14.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.14 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 47.7 t -121.23 148.66 24.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.137 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -135.81 118.24 15.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.8 mtm -151.52 171.35 17.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.942 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -118.62 174.44 6.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 86' ' ' ARG . 18.3 ttmt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.659 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -150.78 137.8 19.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.901 0.382 . . . . 0.0 110.859 -179.88 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.9 t -116.71 159.22 22.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.838 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -119.98 167.34 13.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.178 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.96 164.96 29.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.17 -162.41 53.63 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.492 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 132.47 171.7 12.84 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.536 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.462 ' NE ' ' HA ' ' A' ' 32' ' ' ARG . 3.3 mmp_? -55.59 -29.97 60.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.785 0.326 . . . . 0.0 110.876 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -60.9 -37.85 83.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -102.86 17.29 24.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.964 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp 50.81 46.8 25.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.902 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.8 ptm -151.84 162.95 40.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.93 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.537 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 1.9 m-20 -72.03 171.21 12.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.4 mt -94.81 124.53 38.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.537 ' CE1' ' O ' ' A' ' 37' ' ' ASP . 2.3 m-85 -123.4 167.26 14.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.7 t -78.59 98.69 2.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.131 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.488 ' CD1' ' C ' ' A' ' 41' ' ' LEU . 0.9 OUTLIER -51.31 -61.42 2.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.48 ' HG2' ' N ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -155.64 151.56 27.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.934 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.48 ' N ' ' HG2' ' A' ' 42' ' ' ARG . 10.3 mt -107.08 145.44 32.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -84.59 119.12 24.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.453 ' HA ' ' CD1' ' A' ' 50' ' ' ILE . 17.2 pt-20 -61.95 -27.08 68.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.935 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -111.91 27.71 9.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -112.02 169.94 13.37 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.494 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -28.26 25.56 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.728 2.285 . . . . 0.0 112.334 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 52' ' ' ASN . . . -61.95 -68.85 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.079 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.453 ' CD1' ' HA ' ' A' ' 45' ' ' GLU . 4.8 tt -42.92 -25.13 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.134 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 90.3 mtt-85 -82.65 -35.25 27.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.472 ' N ' ' O ' ' A' ' 49' ' ' ALA . 0.3 OUTLIER -55.8 -60.14 3.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.508 ' O ' ' N ' ' A' ' 55' ' ' MET . . . 97.97 -51.79 1.29 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.452 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.505 ' O ' ' CE2' ' A' ' 13' ' ' PHE . 74.7 mtt-85 -33.76 -33.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.784 0.326 . . . . 0.0 110.904 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.508 ' N ' ' O ' ' A' ' 53' ' ' GLY . 9.0 ptm -126.8 149.98 49.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -138.83 -175.18 4.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.408 HG13 ' N ' ' A' ' 58' ' ' GLY . 79.7 t -85.38 144.38 9.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.408 ' N ' HG13 ' A' ' 57' ' ' VAL . . . 95.26 -25.58 23.59 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.507 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.485 ' CB ' ' CD2' ' A' ' 92' ' ' LEU . 30.9 m-20 -56.15 173.84 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.786 0.327 . . . . 0.0 110.868 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.7 tm0? -123.21 116.57 23.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.471 ' CG1' HD13 ' A' ' 92' ' ' LEU . 5.3 mt -86.64 130.15 37.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.465 ' CG1' HD23 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -107.82 -21.46 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.129 179.877 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -143.25 158.68 43.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.842 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 78.1 mt -147.89 126.82 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.111 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 27.8 m-20 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.852 179.937 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 8.6 mtm . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.854 0.359 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 74' ' ' HIS . 30.9 p -99.44 149.0 23.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.161 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.406 ' C ' ' O ' ' A' ' 73' ' ' THR . 12.7 t-160 -36.72 -37.04 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.32 -53.55 55.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.082 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.461 ' NE ' HD21 ' A' ' 80' ' ' LEU . 6.6 tpt180 -49.05 -55.31 12.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -51.73 -46.44 64.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.131 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 3.4 mm -62.99 -18.97 22.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.146 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -93.43 -32.24 14.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.461 HD21 ' NE ' ' A' ' 76' ' ' ARG . 30.7 mt -66.71 -37.64 85.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.892 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 21.8 mt -62.0 -34.38 62.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 7.8 ptpt -96.82 -15.84 21.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.4 t -79.0 -22.85 44.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -77.81 -50.72 6.28 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.446 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 144.0 -131.87 4.62 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.497 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 19' ' ' LYS . 12.4 mtm-85 -90.58 -23.74 20.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.786 0.327 . . . . 0.0 110.828 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 67.1 mtp180 -112.18 125.61 54.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.48 HG21 ' CD2' ' A' ' 90' ' ' LEU . 14.9 p -120.13 138.09 51.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.114 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -131.38 113.4 13.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.48 ' CD2' HG21 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -123.21 154.11 39.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.465 HD23 ' CG1' ' A' ' 62' ' ' ILE . 2.7 tt -91.15 110.07 21.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.605 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 9.8 tp . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.503 ' CE1' ' O ' ' A' ' 54' ' ' ARG . 9.5 p90 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.915 0.388 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 22.3 p -91.73 155.0 18.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.136 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.457 HG13 ' N ' ' A' ' 16' ' ' ASP . 84.6 t -111.52 143.79 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.457 ' N ' HG13 ' A' ' 15' ' ' VAL . 22.4 t70 -135.06 120.05 18.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.8 mtm -154.67 174.23 15.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -118.85 174.05 6.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 86' ' ' ARG . 9.8 ttpt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.943 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.655 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -153.29 136.88 15.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.832 0.349 . . . . 0.0 110.857 -179.859 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 m -111.69 160.88 16.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -124.85 170.26 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.166 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.414 ' HA ' ' CE1' ' A' ' 74' ' ' HIS . 4.9 ptp85 -151.4 170.03 20.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.5 -172.47 48.12 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.473 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 130.4 171.68 12.97 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.533 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 -48.78 -28.11 3.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.75 0.31 . . . . 0.0 110.873 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -61.73 -38.51 88.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -108.32 13.11 25.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt 54.66 48.84 19.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.91 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.6 ptm -153.44 165.02 37.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.601 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 3.7 m-20 -70.19 171.34 9.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.8 mt -96.56 122.64 39.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.601 ' CE1' ' O ' ' A' ' 37' ' ' ASP . 0.5 OUTLIER -124.84 166.76 15.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.925 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.2 t -76.39 110.99 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.114 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.412 ' CD1' ' C ' ' A' ' 41' ' ' LEU . 1.9 tm? -67.69 -62.83 1.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.937 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.486 ' HG2' ' N ' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -146.51 147.97 31.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.486 ' N ' ' HG2' ' A' ' 42' ' ' ARG . 9.3 mt -109.39 147.81 32.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -84.98 116.95 23.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.072 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.418 ' HA ' ' CD1' ' A' ' 50' ' ' ILE . 12.0 pt-20 -61.52 -25.96 67.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -116.31 26.8 9.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -110.13 172.52 15.75 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.502 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -32.13 19.37 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.671 2.247 . . . . 0.0 112.374 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 52' ' ' ASN . . . -58.71 -69.23 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.418 ' CD1' ' HA ' ' A' ' 45' ' ' GLU . 5.5 tt -44.75 -22.97 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.132 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 66.7 mtp85 -85.56 -33.21 21.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.849 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 49' ' ' ALA . 0.3 OUTLIER -56.32 -59.94 4.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 -179.895 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.501 ' O ' ' N ' ' A' ' 55' ' ' MET . . . 100.2 -53.21 0.95 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.503 ' O ' ' CE1' ' A' ' 13' ' ' PHE . 22.2 mmt85 -35.99 -30.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.82 0.343 . . . . 0.0 110.874 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.501 ' N ' ' O ' ' A' ' 53' ' ' GLY . 5.6 ptm -124.92 147.02 49.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.412 ' HD3' ' C ' ' A' ' 55' ' ' MET . 1.2 mpp_? -138.78 -179.06 5.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 98.8 t -85.94 121.24 37.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.117 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 115.07 -10.65 20.46 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.516 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.461 ' CB ' HD22 ' A' ' 92' ' ' LEU . 0.9 OUTLIER -74.62 166.21 23.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.736 0.303 . . . . 0.0 110.874 -179.919 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.502 ' NE2' ' O ' ' A' ' 61' ' ' ILE . 2.4 tm0? -113.54 115.54 28.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.502 ' O ' ' NE2' ' A' ' 60' ' ' GLN . 6.5 mt -81.12 119.87 31.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.435 ' CG1' HD23 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -96.14 -28.1 3.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.873 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -134.07 155.08 50.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 30.3 mt -143.24 119.2 4.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.159 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.489 ' ND2' ' O ' ' A' ' 80' ' ' LEU . 29.8 m-20 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 5.3 mtm . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.819 0.342 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 46.0 p -101.24 152.41 20.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.414 ' CE1' ' HA ' ' A' ' 29' ' ' ARG . 18.5 t-160 -39.82 -37.61 0.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.94 -47.73 83.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.079 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.426 ' NH1' ' OE2' ' A' ' 79' ' ' GLU . 6.7 tpt180 -52.65 -64.6 0.77 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.836 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -46.78 -37.61 8.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 10.4 mm -64.81 -31.52 54.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.145 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.426 ' OE2' ' NH1' ' A' ' 76' ' ' ARG . 2.0 pt-20 -87.78 -23.43 24.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.489 ' O ' ' ND2' ' A' ' 65' ' ' ASN . 51.5 mt -69.11 -42.02 76.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.901 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 21.7 mt -61.01 -32.46 52.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.078 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -97.57 -16.92 19.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 28.8 t -71.86 -36.86 70.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -68.45 -48.53 50.66 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.475 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 143.0 -129.35 3.74 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.473 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.466 ' O ' ' N ' ' A' ' 19' ' ' LYS . 38.7 mtt180 -94.52 -15.72 23.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.85 0.357 . . . . 0.0 110.895 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 32.6 mtt180 -113.36 124.14 51.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.413 HG22 ' CD2' ' A' ' 90' ' ' LEU . 11.6 p -122.42 147.06 26.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.099 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 32.7 ttt180 -141.23 111.85 7.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.413 ' CD2' HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -125.66 147.93 49.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.474 HD22 ' N ' ' A' ' 92' ' ' LEU . 2.4 tt -85.66 120.77 27.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.474 ' N ' HD22 ' A' ' 91' ' ' LEU . 7.0 tp . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.609 ' CE2' ' O ' ' A' ' 92' ' ' LEU . 6.1 p90 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.906 0.384 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 37.9 p -93.27 156.49 16.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.116 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.408 HG13 ' N ' ' A' ' 16' ' ' ASP . 63.2 t -113.11 140.71 31.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.408 ' N ' HG13 ' A' ' 15' ' ' VAL . 9.1 t70 -135.22 117.91 16.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.2 mtm -151.24 171.16 17.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -123.45 175.23 6.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.916 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.649 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -153.11 136.23 15.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.871 0.367 . . . . 0.0 110.889 -179.829 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 27.2 t -110.55 172.22 6.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -136.2 170.31 18.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.488 ' HA ' ' CE1' ' A' ' 74' ' ' HIS . 3.1 ptp85 -149.14 169.7 20.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.99 -163.51 54.61 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.452 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 127.87 -179.99 16.17 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.508 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.426 ' NE ' ' HA ' ' A' ' 32' ' ' ARG . 3.9 mmp_? -60.67 -16.87 43.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.785 0.326 . . . . 0.0 110.86 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -71.62 -34.27 69.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -111.85 11.81 20.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.951 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm 55.95 49.68 15.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.878 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.3 ptm -152.49 163.18 40.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.523 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 17.9 m-20 -68.09 170.68 8.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.5 mt -95.24 117.29 30.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.555 ' CE2' ' HG2' ' A' ' 60' ' ' GLN . 1.7 m-85 -117.79 164.84 14.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 27.1 t -78.89 116.76 23.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.121 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -69.13 -55.64 10.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.477 ' HG2' ' N ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -158.5 150.42 21.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.477 ' N ' ' HG2' ' A' ' 42' ' ' ARG . 10.2 mt -104.1 151.28 23.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -86.99 112.97 22.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.099 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.412 ' HA ' ' CD1' ' A' ' 50' ' ' ILE . 11.5 pt-20 -58.43 -19.99 41.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -118.83 10.23 12.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.843 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -93.75 164.22 26.36 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.54 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -16.78 37.6 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.673 2.248 . . . . 0.0 112.339 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.86 -57.96 3.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.079 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.412 ' CD1' ' HA ' ' A' ' 45' ' ' GLU . 6.8 tt -54.7 -17.1 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -91.59 -21.17 20.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.847 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.415 ' ND2' ' H ' ' A' ' 55' ' ' MET . 0.5 OUTLIER -64.94 -55.65 17.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 96.64 -53.46 1.48 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.524 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.601 ' O ' ' CZ ' ' A' ' 13' ' ' PHE . 2.5 mmp_? -41.38 -29.72 0.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.835 0.35 . . . . 0.0 110.852 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.463 ' SD ' ' C ' ' A' ' 55' ' ' MET . 0.0 OUTLIER -128.1 139.81 52.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.445 ' HA ' ' CD1' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -135.13 176.68 8.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -86.74 120.88 36.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.122 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 118.17 8.11 10.74 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.515 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.46 ' CB ' HD23 ' A' ' 92' ' ' LEU . 0.7 OUTLIER -97.54 -175.28 3.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.757 0.313 . . . . 0.0 110.884 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.555 ' HG2' ' CE2' ' A' ' 39' ' ' TYR . 1.3 tm0? -122.61 123.07 40.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.916 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.5 ' O ' ' NE2' ' A' ' 60' ' ' GLN . 9.9 mt -93.95 121.45 44.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.465 ' N ' HD11 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -102.86 -19.91 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.122 179.857 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.45 ' HG2' ' N ' ' A' ' 64' ' ' ILE . 27.4 tt0 -138.2 153.65 49.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.45 ' N ' ' HG2' ' A' ' 63' ' ' GLU . 85.0 mt -145.9 123.46 4.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.126 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' A' ' 80' ' ' LEU . 27.6 m-20 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 6.7 mtm . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.873 0.368 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 75' ' ' ALA . 22.3 p -103.24 145.9 29.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.167 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.488 ' CE1' ' HA ' ' A' ' 29' ' ' ARG . 13.2 t-160 -34.25 -33.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.823 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 73' ' ' THR . . . -64.54 -53.78 42.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.111 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.431 ' CZ ' HD23 ' A' ' 80' ' ' LEU . 9.0 tpt180 -47.36 -53.56 13.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.834 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -53.26 -48.21 68.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.088 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 3.2 mm -62.15 -17.99 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -93.96 -33.29 13.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.485 ' O ' ' ND2' ' A' ' 65' ' ' ASN . 28.7 mt -66.85 -38.39 86.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.927 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 22.6 mt -61.0 -32.3 52.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -97.16 -12.86 22.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 30.3 t -80.89 -31.54 35.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -72.74 -33.39 60.44 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.486 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 124.32 -128.86 6.95 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.485 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.3 mtt-85 -95.71 -18.45 20.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.837 0.351 . . . . 0.0 110.929 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 28.6 mtt180 -109.55 122.88 48.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.489 HG23 ' CD2' ' A' ' 90' ' ' LEU . 12.5 p -124.7 134.78 65.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.157 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -128.48 121.05 28.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.489 ' CD2' HG23 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -133.33 147.29 51.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.963 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.408 HD23 ' N ' ' A' ' 92' ' ' LEU . 1.3 tt -84.29 110.48 18.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.609 ' O ' ' CE2' ' A' ' 13' ' ' PHE . 7.9 tp . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.608 ' CD1' ' O ' ' A' ' 92' ' ' LEU . 16.8 p90 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.987 0.422 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 70.7 p -102.64 160.13 14.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.173 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 61.3 t -117.03 146.2 21.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.129 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -135.94 114.82 12.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.1 mtm -149.09 162.61 39.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -116.31 175.25 5.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.938 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.384 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.643 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -153.17 140.22 19.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.872 0.368 . . . . 0.0 110.865 -179.846 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.0 t -115.46 170.44 8.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -135.15 169.83 20.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.111 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -146.13 171.21 15.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 66.16 -172.56 25.75 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.446 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 138.61 175.08 13.75 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.505 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.443 ' NE ' ' HA ' ' A' ' 32' ' ' ARG . 2.3 mmp_? -56.67 -14.77 3.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.765 0.317 . . . . 0.0 110.876 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -75.57 -34.13 60.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -110.34 13.52 22.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.84 48.91 17.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.3 ptm -153.79 161.59 41.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.482 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . 2.1 m-20 -66.72 170.73 6.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.886 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.6 mt -98.19 117.92 33.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.577 ' CE2' ' HG2' ' A' ' 60' ' ' GLN . 2.5 m-85 -117.29 168.43 10.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.963 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 38.7 t -81.67 109.38 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.164 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.439 ' CD1' ' C ' ' A' ' 41' ' ' LEU . 1.3 tm? -61.26 -59.42 5.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.943 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.482 ' HG2' ' N ' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -157.55 151.01 23.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.482 ' N ' ' HG2' ' A' ' 42' ' ' ARG . 12.2 mt -105.41 151.08 24.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.0 117.59 25.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -62.93 -19.42 64.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -118.57 22.0 12.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -109.41 168.57 13.33 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.469 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -26.17 27.76 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.729 2.286 . . . . 0.0 112.313 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.88 -64.8 0.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.11 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 7.0 tt -49.03 -23.99 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 67.5 mtp180 -82.48 -30.04 30.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -59.44 -60.4 3.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.517 ' O ' ' N ' ' A' ' 55' ' ' MET . . . 99.36 -53.7 1.01 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.494 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.455 ' O ' ' CZ ' ' A' ' 13' ' ' PHE . 60.2 mtt85 -34.32 -32.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.819 0.343 . . . . 0.0 110.872 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.517 ' N ' ' O ' ' A' ' 53' ' ' GLY . 9.9 ptm -128.77 144.46 51.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.408 ' NH1' ' HA2' ' A' ' 53' ' ' GLY . 0.6 OUTLIER -134.65 -174.27 3.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.459 HG13 ' N ' ' A' ' 58' ' ' GLY . 99.2 t -86.47 140.49 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.459 ' N ' HG13 ' A' ' 57' ' ' VAL . . . 96.1 -16.72 60.61 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.511 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.519 ' CB ' ' CD2' ' A' ' 92' ' ' LEU . 43.3 m-20 -63.12 -179.17 0.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.776 0.322 . . . . 0.0 110.859 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.577 ' HG2' ' CE2' ' A' ' 39' ' ' TYR . 2.1 tm0? -123.44 121.58 36.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.508 ' O ' ' NE2' ' A' ' 60' ' ' GLN . 7.9 mt -96.6 130.18 45.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.124 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.509 ' CD1' ' N ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -115.47 -14.74 10.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.136 179.838 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -139.54 151.19 45.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 62.9 mt -148.04 110.65 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.147 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 35.7 m-20 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.959 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 4.2 mtm . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.838 0.351 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.2 p -91.45 158.11 16.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 18.6 t-160 -48.5 -32.68 8.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.75 -50.04 68.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.098 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.468 ' NE ' HD23 ' A' ' 80' ' ' LEU . 8.0 tpt180 -53.33 -61.84 2.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -46.03 -29.81 1.61 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.087 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.6 mm -77.01 -30.99 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.152 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 76' ' ' ARG . 3.3 pt-20 -84.94 -23.13 28.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.468 HD23 ' NE ' ' A' ' 76' ' ' ARG . 64.2 mt -71.4 -41.3 69.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 16.1 mt -59.86 -31.1 46.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 11.4 ptpt -97.16 -14.54 21.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 31.7 t -82.07 -31.88 30.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -70.19 -41.18 70.2 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.512 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 133.8 -128.09 4.84 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.471 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.9 mtm-85 -97.87 -21.72 16.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.79 0.328 . . . . 0.0 110.886 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 53.3 mtm180 -109.5 122.8 48.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.476 HG22 ' CD2' ' A' ' 90' ' ' LEU . 10.4 p -123.78 143.81 35.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.148 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.402 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 21.9 ttm180 -135.95 115.25 12.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.476 ' CD2' HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -125.97 149.84 48.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.469 HD23 ' CG1' ' A' ' 62' ' ' ILE . 3.3 tt -86.94 112.73 22.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.933 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.608 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 11.9 tp . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.947 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.619 ' CD2' ' O ' ' A' ' 92' ' ' LEU . 17.5 p90 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.92 0.391 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 57.5 p -101.1 154.6 18.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.134 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.436 ' CG2' ' HB3' ' A' ' 55' ' ' MET . 69.0 t -109.0 143.39 19.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.152 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -136.18 106.18 6.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.2 mtm -141.95 179.79 6.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -123.51 169.73 11.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 86' ' ' ARG . 8.3 ttmm . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.658 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -153.2 139.4 18.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.861 0.362 . . . . 0.0 110.894 -179.856 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.465 ' HB3' ' CD ' ' A' ' 42' ' ' ARG . 47.7 t -114.9 170.27 8.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.887 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -132.64 169.95 20.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.155 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.7 ptp180 -149.33 170.91 17.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 69.38 -163.67 51.15 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.472 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 127.25 163.22 11.38 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.458 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.417 ' NE ' ' HA ' ' A' ' 32' ' ' ARG . 4.0 mmp_? -43.93 -27.44 0.36 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.789 0.328 . . . . 0.0 110.879 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.463 ' CD ' ' O ' ' A' ' 33' ' ' GLU . 0.4 OUTLIER -60.19 -41.59 93.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.917 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.46 ' CD1' ' OE1' ' A' ' 33' ' ' GLU . 6.0 m-85 -104.87 15.94 26.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.959 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 45.1 mmtt 55.2 46.9 22.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.894 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.5 ptm -152.4 160.09 43.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.489 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 0.8 OUTLIER -65.92 170.8 5.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.4 mt -96.13 119.2 34.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.557 ' CE2' ' HG2' ' A' ' 60' ' ' GLN . 2.0 m-85 -115.9 167.26 11.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 20.4 t -85.4 100.97 9.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.131 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.414 ' C ' HD11 ' A' ' 41' ' ' LEU . 1.1 tm? -46.88 -61.33 1.91 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.944 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.465 ' CD ' ' HB3' ' A' ' 27' ' ' SER . 0.0 OUTLIER -156.52 166.11 34.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.457 ' CD1' ' HA ' ' A' ' 56' ' ' ARG . 10.7 mt -115.78 150.2 37.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.956 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -88.22 115.76 25.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.094 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.453 ' HA ' ' CD1' ' A' ' 50' ' ' ILE . 1.9 pp20? -55.63 -28.35 54.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.428 ' O ' ' CG ' ' A' ' 46' ' ' ASP . 26.2 t70 -114.13 27.66 9.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -109.45 169.87 14.05 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.487 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -25.79 28.14 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.685 2.256 . . . . 0.0 112.337 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 52' ' ' ASN . . . -66.45 -67.46 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.117 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.453 ' CD1' ' HA ' ' A' ' 45' ' ' GLU . 6.6 tt -46.45 -23.52 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.071 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 56.5 mtp180 -87.38 -29.65 21.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 49' ' ' ALA . 0.3 OUTLIER -60.57 -60.28 4.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.501 ' O ' ' N ' ' A' ' 55' ' ' MET . . . 100.63 -54.07 0.87 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.482 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.565 ' O ' ' CE1' ' A' ' 13' ' ' PHE . 57.3 mtt-85 -35.2 -31.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.792 0.329 . . . . 0.0 110.837 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.501 ' N ' ' O ' ' A' ' 53' ' ' GLY . 4.8 ptm -132.88 145.19 50.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.457 ' HA ' ' CD1' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -141.15 164.34 30.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.908 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -69.34 133.66 31.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.128 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 105.38 12.41 27.01 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.479 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.412 ' CB ' HD21 ' A' ' 92' ' ' LEU . 1.1 m-20 -102.56 179.94 4.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.756 0.312 . . . . 0.0 110.873 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.557 ' HG2' ' CE2' ' A' ' 39' ' ' TYR . 0.9 OUTLIER -122.22 119.88 32.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.452 ' O ' ' NE2' ' A' ' 60' ' ' GLN . 9.7 mt -93.88 123.99 46.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.136 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.431 ' CD1' ' N ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -101.1 -26.35 3.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 179.847 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -134.96 156.57 48.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 82.4 mt -146.74 130.12 9.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.135 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.492 ' ND2' ' O ' ' A' ' 80' ' ' LEU . 2.0 m-20 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 5.2 mtm . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.859 0.361 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.485 ' O ' ' N ' ' A' ' 75' ' ' ALA . 17.2 p -100.81 148.71 24.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.441 ' C ' ' O ' ' A' ' 73' ' ' THR . 15.4 t-160 -34.65 -33.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 73' ' ' THR . . . -64.68 -54.25 34.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 73' ' ' THR . 8.9 tpp180 -48.93 -52.14 26.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.55 -46.71 66.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.071 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 3.1 mm -63.7 -12.45 11.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.093 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 83' ' ' SER . 0.8 OUTLIER -95.43 -41.67 8.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.492 ' O ' ' ND2' ' A' ' 65' ' ' ASN . 61.4 mt -59.84 -37.7 79.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 23.4 mt -61.46 -34.21 60.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 5.1 ptpt -97.55 -17.71 19.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.956 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 79' ' ' GLU . 1.6 m -84.33 -13.47 52.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -86.39 -34.08 12.8 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.464 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 123.92 -141.23 13.35 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.492 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 19' ' ' LYS . 21.0 mtt180 -85.63 -21.31 28.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.781 0.324 . . . . 0.0 110.87 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -113.13 126.55 55.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.475 HG21 ' CD2' ' A' ' 90' ' ' LEU . 14.8 p -122.97 149.47 26.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 14.4 ttm180 -141.38 124.67 16.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.475 ' CD2' HG21 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -137.17 148.46 46.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.46 HD21 ' N ' ' A' ' 92' ' ' LEU . 2.6 tt -83.39 117.08 22.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.924 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.619 ' O ' ' CD2' ' A' ' 13' ' ' PHE . 7.7 tp . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.537 ' CD1' ' O ' ' A' ' 92' ' ' LEU . 50.8 p90 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.936 0.398 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 57.4 p -105.48 158.38 16.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.159 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 58.8 t -118.41 142.5 32.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -135.55 113.09 10.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.5 mtm -149.59 174.19 12.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -119.3 175.11 5.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 86' ' ' ARG . 21.2 ttmt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.651 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -152.7 138.94 18.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.853 0.359 . . . . 0.0 110.864 -179.832 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.0 t -113.17 172.13 7.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -135.61 170.62 18.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.096 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.3 ptt180 -150.9 169.21 22.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.21 -171.3 55.12 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.496 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 131.65 172.72 13.15 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.456 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -53.8 -22.4 9.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.756 0.312 . . . . 0.0 110.869 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -65.42 -35.68 81.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -109.37 3.76 21.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.938 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm 63.7 44.57 4.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.885 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.1 ptm -148.04 162.89 38.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.6 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 2.2 m-20 -67.26 171.02 6.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.0 mt -95.68 119.79 34.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.941 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.6 ' CE1' ' O ' ' A' ' 37' ' ' ASP . 0.5 OUTLIER -121.92 166.22 14.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.936 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 26.2 t -81.21 108.43 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.123 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.424 ' CD1' ' C ' ' A' ' 41' ' ' LEU . 0.7 OUTLIER -57.74 -58.04 10.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.494 ' HG2' ' N ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -159.44 149.98 19.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.494 ' N ' ' HG2' ' A' ' 42' ' ' ARG . 11.7 mt -103.0 151.24 22.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.956 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -86.36 117.81 25.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -59.56 -19.58 49.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -121.58 26.65 8.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -107.11 166.19 13.36 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.457 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -24.08 29.97 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.681 2.254 . . . . 0.0 112.359 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.59 -60.36 2.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.124 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.1 tt -52.1 -18.65 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 63.2 mtp85 -87.31 -25.58 23.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -64.57 -59.58 4.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.498 ' O ' ' CD ' ' A' ' 56' ' ' ARG . . . 102.69 -54.81 0.71 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.51 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.433 ' O ' ' CE2' ' A' ' 13' ' ' PHE . 54.1 mtt-85 -37.86 -34.56 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.821 0.343 . . . . 0.0 110.877 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 3.6 ptm -121.91 137.97 54.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.498 ' CD ' ' O ' ' A' ' 53' ' ' GLY . 0.5 OUTLIER -132.2 176.4 8.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.843 -179.904 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -85.77 123.47 39.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.148 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 117.37 -0.99 18.75 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.453 ' HB2' ' CD2' ' A' ' 92' ' ' LEU . 1.2 m-20 -88.68 170.26 10.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.78 0.324 . . . . 0.0 110.903 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.495 ' NE2' ' O ' ' A' ' 61' ' ' ILE . 9.2 tm0? -112.25 120.9 43.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.527 ' CG1' ' CD1' ' A' ' 92' ' ' LEU . 19.5 mt -89.72 129.83 40.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.406 HD13 ' N ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -112.81 -14.51 10.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.144 179.855 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.447 ' HB3' ' CB ' ' A' ' 91' ' ' LEU . 29.8 tt0 -140.34 158.22 44.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 85.7 mt -146.21 134.3 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.134 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.502 ' ND2' ' O ' ' A' ' 80' ' ' LEU . 31.2 m-20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 5.6 mtm . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.835 0.35 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 75' ' ' ALA . 81.9 p -92.37 147.5 22.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.172 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 18.8 t-160 -38.66 -27.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.864 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 73' ' ' THR . . . -69.38 -52.57 25.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -47.24 -51.73 17.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.06 -45.76 75.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 3.1 mm -64.6 -12.92 13.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -91.92 -42.06 10.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.502 ' O ' ' ND2' ' A' ' 65' ' ' ASN . 75.7 mt -62.67 -40.77 98.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.942 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 23.8 mt -55.85 -34.37 37.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -97.62 -16.59 19.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 179.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.3 t -77.36 -32.13 54.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -68.76 -40.77 85.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.496 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 127.71 -142.97 13.98 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.474 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.495 ' O ' ' N ' ' A' ' 19' ' ' LYS . 47.4 mtt180 -79.02 -18.78 52.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.853 0.358 . . . . 0.0 110.862 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 -115.08 128.03 55.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.484 HG21 ' CD2' ' A' ' 90' ' ' LEU . 13.7 p -124.28 146.93 29.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.466 ' O ' ' N ' ' A' ' 65' ' ' ASN . 12.5 ttm180 -141.29 121.89 14.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.484 ' CD2' HG21 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -134.1 148.34 50.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.447 ' CB ' ' HB3' ' A' ' 63' ' ' GLU . 4.0 tt -84.97 107.03 16.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.537 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 8.0 tp . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.608 ' CD1' ' O ' ' A' ' 92' ' ' LEU . 19.7 p90 . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.874 0.369 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 41.3 p -99.37 158.74 15.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.12 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.449 HG11 ' N ' ' A' ' 16' ' ' ASP . 97.8 t -118.7 142.26 34.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.449 ' N ' HG11 ' A' ' 15' ' ' VAL . 9.3 t0 -135.52 119.4 17.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.83 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.2 mtm -153.54 170.54 20.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.824 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -115.18 173.96 6.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.513 ' N ' ' O ' ' A' ' 86' ' ' ARG . 6.9 ttpp . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.923 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.662 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -153.29 132.34 12.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.352 . . . . 0.0 110.878 -179.841 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.9 t -110.28 165.86 11.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.468 ' CD1' ' HB2' ' A' ' 77' ' ' ALA . 0.5 OUTLIER -128.66 170.1 18.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.434 ' HA ' ' CE1' ' A' ' 74' ' ' HIS . 7.5 ptp85 -147.69 167.95 23.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.81 -169.09 54.94 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.476 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 131.35 164.57 11.21 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.468 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.0 mmm180 -48.2 -24.39 1.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.803 0.335 . . . . 0.0 110.855 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -65.98 -37.48 86.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -107.23 13.97 26.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm 53.9 50.43 16.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.913 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.4 ptm -154.94 162.84 40.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.81 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.59 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 0.2 OUTLIER -70.88 169.44 14.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 179.931 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.6 mt -93.19 120.7 33.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.59 ' CE1' ' O ' ' A' ' 37' ' ' ASP . 1.2 m-85 -124.34 166.97 15.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 48.2 t -79.83 113.66 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.108 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -67.01 -55.81 12.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.479 ' HG2' ' N ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -158.37 150.35 21.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.479 ' N ' ' HG2' ' A' ' 42' ' ' ARG . 11.5 mt -104.07 150.99 23.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -88.72 115.55 26.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.411 ' HA ' ' CD1' ' A' ' 50' ' ' ILE . 5.1 pt-20 -59.32 -24.35 63.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -119.17 32.86 5.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -117.21 169.77 13.24 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -22.26 32.56 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.661 2.241 . . . . 0.0 112.328 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.401 ' CB ' ' HB3' ' A' ' 26' ' ' PHE . . . -68.99 -66.11 0.62 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.058 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.411 ' CD1' ' HA ' ' A' ' 45' ' ' GLU . 6.4 tt -48.83 -23.93 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.119 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 47.6 mtp180 -81.9 -29.62 32.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -59.99 -55.2 36.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 55' ' ' MET . . . 93.2 -52.6 2.48 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.503 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.454 ' O ' ' CE2' ' A' ' 13' ' ' PHE . 21.2 mmt180 -38.93 -28.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.805 0.336 . . . . 0.0 110.836 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.454 ' N ' ' O ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -127.81 142.09 51.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -140.13 -175.73 4.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.9 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.437 HG11 ' N ' ' A' ' 58' ' ' GLY . 57.9 t -83.64 140.35 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.061 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.437 ' N ' HG11 ' A' ' 57' ' ' VAL . . . 97.36 14.53 41.21 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.44 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.441 ' CB ' HD23 ' A' ' 92' ' ' LEU . 14.8 m-20 -103.62 173.29 6.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.757 0.313 . . . . 0.0 110.871 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.501 ' NE2' ' O ' ' A' ' 61' ' ' ILE . 7.3 tm0? -122.86 119.88 31.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.948 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.501 ' O ' ' NE2' ' A' ' 60' ' ' GLN . 8.7 mt -87.16 125.28 40.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.478 ' CD1' ' N ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -102.02 -38.37 5.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.177 179.848 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -124.65 157.21 36.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 93.7 mt -137.07 134.92 47.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.133 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 80' ' ' LEU . 29.0 m-20 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.9 mtm . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.828 0.347 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 75' ' ' ALA . 45.1 p -108.57 147.87 31.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.147 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.434 ' CE1' ' HA ' ' A' ' 29' ' ' ARG . 13.7 t-160 -36.17 -31.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 73' ' ' THR . . . -67.18 -49.26 65.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 73' ' ' THR . 5.8 tpt180 -51.16 -52.15 46.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.921 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.468 ' HB2' ' CD1' ' A' ' 28' ' ' ILE . . . -54.14 -50.11 67.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 3.0 mm -59.41 -15.9 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.15 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 83' ' ' SER . 0.6 OUTLIER -90.77 -42.63 10.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.45 ' O ' ' ND2' ' A' ' 65' ' ' ASN . 78.2 mt -60.62 -38.44 84.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 25.1 mt -61.16 -33.38 55.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.161 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -97.83 -18.69 18.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 79' ' ' GLU . 33.9 t -74.74 -34.13 62.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -69.72 -41.39 74.5 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.484 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 127.73 -138.88 10.73 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.542 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.513 ' O ' ' N ' ' A' ' 19' ' ' LYS . 28.0 mtt180 -82.86 -23.42 33.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.852 0.358 . . . . 0.0 110.914 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 46.7 mtp180 -109.74 123.09 48.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.476 HG22 ' CD2' ' A' ' 90' ' ' LEU . 12.9 p -123.6 148.73 27.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.426 ' O ' ' N ' ' A' ' 65' ' ' ASN . 14.1 ttm180 -140.91 113.74 8.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.849 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.476 ' CD2' HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -127.77 148.16 50.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.912 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.467 HD23 ' CG1' ' A' ' 62' ' ' ILE . 2.7 tt -85.41 112.01 20.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.608 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 8.9 tp . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.608 ' CD2' ' O ' ' A' ' 92' ' ' LEU . 26.6 p90 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.952 0.405 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 76.5 p -97.0 164.29 12.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.125 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.3 t -123.85 146.13 29.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -135.75 117.44 14.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.7 mtm -149.42 176.98 10.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -121.43 169.56 10.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 86' ' ' ARG . 7.3 ttmm . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.942 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.656 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -153.28 143.63 22.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.825 0.345 . . . . 0.0 110.91 -179.889 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.7 t -122.18 162.44 21.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.463 ' CD1' ' HB3' ' A' ' 77' ' ' ALA . 0.5 OUTLIER -122.8 169.72 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.154 179.943 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.478 ' HA ' ' CE1' ' A' ' 74' ' ' HIS . 3.6 ptp180 -147.6 160.16 42.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 82.97 -161.88 40.25 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.424 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 124.7 179.17 15.62 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.514 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -58.74 -20.92 53.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.797 0.332 . . . . 0.0 110.862 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -67.84 -34.85 77.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -111.71 11.25 21.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 56.42 49.12 15.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.91 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.6 ptm -153.46 159.99 42.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.457 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 62.9 m-20 -65.38 169.7 5.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.2 mt -94.35 116.67 29.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.457 ' CE1' ' O ' ' A' ' 37' ' ' ASP . 2.9 m-85 -113.62 165.18 12.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.8 t -81.19 95.94 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.45 ' CD1' ' C ' ' A' ' 41' ' ' LEU . 2.0 tm? -45.49 -62.62 1.2 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.955 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.466 ' HD2' ' N ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -153.83 175.68 13.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 179.892 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.466 ' N ' ' HD2' ' A' ' 42' ' ' ARG . 12.8 mt -127.34 150.51 49.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.01 120.6 28.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.049 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -59.64 -26.54 65.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -116.39 31.33 6.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.843 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -112.66 169.06 12.83 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.478 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -25.9 28.15 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.695 2.263 . . . . 0.0 112.375 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 52' ' ' ASN . . . -65.93 -67.05 0.47 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 6.6 tt -46.13 -23.08 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.162 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -85.83 -31.29 22.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 49' ' ' ALA . 0.3 OUTLIER -58.98 -60.49 3.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.502 ' O ' ' N ' ' A' ' 55' ' ' MET . . . 100.61 -54.03 0.88 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.433 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.467 ' C ' ' O ' ' A' ' 53' ' ' GLY . 10.2 mmp_? -32.17 -36.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.784 0.326 . . . . 0.0 110.809 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.502 ' N ' ' O ' ' A' ' 53' ' ' GLY . 6.1 ptm -123.35 144.41 49.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.408 ' CD ' ' O ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -138.13 -178.98 5.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 -179.891 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 92.9 t -79.91 130.99 35.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.135 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 100.45 30.66 6.13 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.454 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.448 ' CB ' ' CD2' ' A' ' 92' ' ' LEU . 4.5 m-20 -115.62 173.62 6.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.729 0.3 . . . . 0.0 110.851 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.487 ' NE2' ' O ' ' A' ' 61' ' ' ILE . 1.1 tm0? -121.56 117.29 26.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.487 ' O ' ' NE2' ' A' ' 60' ' ' GLN . 13.8 mt -86.97 120.51 36.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.423 ' CD1' ' N ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -98.32 -30.49 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.1 179.88 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -129.74 148.42 51.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 57.8 mt -139.84 109.16 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.155 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 80' ' ' LEU . 30.0 m-20 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 9.5 mtm . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.908 0.385 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.456 ' O ' ' C ' ' A' ' 74' ' ' HIS . 25.3 p -98.95 143.73 28.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.478 ' CE1' ' HA ' ' A' ' 29' ' ' ARG . 11.3 t-160 -33.89 -36.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 73' ' ' THR . . . -63.99 -52.56 59.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.083 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 73' ' ' THR . 10.5 tpt180 -48.44 -48.51 37.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.463 ' HB3' ' CD1' ' A' ' 28' ' ' ILE . . . -56.88 -48.84 77.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 3.4 mm -61.56 -13.05 7.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.155 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -92.02 -41.07 10.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.497 ' O ' ' ND2' ' A' ' 65' ' ' ASN . 82.5 mt -63.83 -40.69 97.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 39.9 mt -54.71 -35.42 32.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.104 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -97.99 -14.73 20.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.0 t -73.92 -33.62 64.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.812 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -69.59 -36.63 76.67 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.514 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 129.7 -131.66 6.75 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.504 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 19' ' ' LYS . 24.8 mtt180 -91.16 -17.49 26.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.806 0.336 . . . . 0.0 110.877 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 34.2 mtm180 -116.89 124.94 50.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.473 HG21 ' CD2' ' A' ' 90' ' ' LEU . 12.1 p -119.92 144.58 28.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 30.8 ttt180 -135.06 111.75 10.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.473 ' CD2' HG21 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -123.99 148.51 46.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.473 HD21 ' N ' ' A' ' 92' ' ' LEU . 3.4 tt -86.8 116.97 25.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.608 ' O ' ' CD2' ' A' ' 13' ' ' PHE . 7.0 tp . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.577 ' CE1' ' O ' ' A' ' 54' ' ' ARG . 11.8 p90 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.958 0.409 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -91.18 165.58 13.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.158 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.459 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 37.6 t -136.07 138.1 47.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.143 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -136.25 121.18 18.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.404 ' SD ' ' HA ' ' A' ' 49' ' ' ALA . 3.7 mtm -148.3 167.58 24.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -106.93 173.31 6.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.822 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.0 ttmt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 179.984 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.65 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -153.02 143.44 22.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.871 0.367 . . . . 0.0 110.903 -179.883 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.433 ' HB3' ' CD ' ' A' ' 42' ' ' ARG . 38.0 t -118.99 172.03 7.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -179.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.47 ' CG2' ' CD1' ' A' ' 61' ' ' ILE . 0.5 OUTLIER -133.5 169.22 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.139 179.904 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.431 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 4.8 ptp180 -151.36 169.54 21.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.14 -176.71 46.62 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.496 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 134.97 175.88 14.08 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.533 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 -54.3 -24.57 19.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.786 0.327 . . . . 0.0 110.91 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -66.0 -36.59 83.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -109.44 14.15 23.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.957 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 51.94 48.88 21.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.906 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.8 ptm -151.95 166.19 32.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.551 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 0.8 OUTLIER -70.62 171.43 10.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.4 mt -95.79 128.68 42.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.591 ' CE2' ' HG3' ' A' ' 60' ' ' GLN . 1.6 m-85 -129.38 167.91 17.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 90.4 t -85.32 98.85 6.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.171 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.431 ' CD2' ' HB3' ' A' ' 29' ' ' ARG . 0.4 OUTLIER -43.41 -64.57 0.62 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.433 ' CD ' ' HB3' ' A' ' 27' ' ' SER . 0.0 OUTLIER -155.23 165.9 35.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.47 ' CD2' ' HB1' ' A' ' 49' ' ' ALA . 12.2 mt -115.0 150.86 35.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.31 118.45 28.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.405 ' HA ' ' CD1' ' A' ' 50' ' ' ILE . 14.1 pt-20 -57.76 -29.47 64.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.904 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -113.56 30.09 7.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -113.38 166.58 12.16 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.456 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -24.92 28.88 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.679 2.253 . . . . 0.0 112.316 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.47 ' HB1' ' CD2' ' A' ' 43' ' ' LEU . . . -66.9 -58.4 5.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.405 ' CD1' ' HA ' ' A' ' 45' ' ' GLU . 8.2 tt -56.12 -14.34 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 40.5 mtp180 -93.61 -19.67 20.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.495 ' ND2' ' H ' ' A' ' 55' ' ' MET . 0.7 OUTLIER -67.39 -54.5 19.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.443 ' O ' ' CD ' ' A' ' 56' ' ' ARG . . . 94.95 -52.63 1.92 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.484 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.577 ' O ' ' CE1' ' A' ' 13' ' ' PHE . 17.9 mmt180 -45.34 -27.76 0.73 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.861 0.363 . . . . 0.0 110.909 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.495 ' H ' ' ND2' ' A' ' 52' ' ' ASN . 0.1 OUTLIER -120.87 139.68 52.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 179.93 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.443 ' CD ' ' O ' ' A' ' 53' ' ' GLY . 0.5 OUTLIER -137.43 -175.23 3.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.859 -179.917 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.5 t -93.52 111.32 24.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 135.23 -19.76 3.83 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.498 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.474 ' HB2' ' CG ' ' A' ' 92' ' ' LEU . 1.5 m-20 -74.05 176.68 6.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.792 0.329 . . . . 0.0 110.828 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.591 ' HG3' ' CE2' ' A' ' 39' ' ' TYR . 2.7 tt0 -121.17 120.73 36.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.899 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.47 ' CD1' ' CG2' ' A' ' 28' ' ' ILE . 17.1 mt -82.75 117.08 28.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.139 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -103.14 -20.61 5.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -132.31 150.07 52.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.445 ' O ' ' C ' ' A' ' 65' ' ' ASN . 97.1 mt -141.75 127.27 18.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.124 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.545 ' N ' ' O ' ' A' ' 89' ' ' ARG . 22.6 m-20 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 6.3 mtm . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.855 0.359 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 76' ' ' ARG . 79.6 p -106.49 145.38 31.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.167 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.439 ' C ' ' O ' ' A' ' 73' ' ' THR . 20.9 t-160 -35.37 -35.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 73' ' ' THR . . . -59.67 -47.89 83.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.111 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.466 ' NE ' HD22 ' A' ' 80' ' ' LEU . 9.2 tpt180 -55.5 -62.33 1.75 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -46.95 -28.62 1.68 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.074 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 5.9 mm -78.56 -30.99 15.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -85.6 -23.15 27.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.466 HD22 ' NE ' ' A' ' 76' ' ' ARG . 32.0 mt -70.42 -40.12 74.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.943 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 17.2 mt -62.0 -30.59 48.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.18 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.0 ptpt -97.06 -14.52 21.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 26.4 t -78.63 -31.58 47.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.832 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -69.39 -40.5 79.88 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.463 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 127.97 -132.77 7.53 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.505 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 30.7 mtt85 -87.91 -16.84 32.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.855 0.36 . . . . 0.0 110.927 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 25.6 mtm-85 -115.59 127.14 55.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.497 HG23 ' CD2' ' A' ' 90' ' ' LEU . 12.4 p -125.08 144.2 35.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.124 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.545 ' O ' ' N ' ' A' ' 65' ' ' ASN . 62.1 mtt85 -137.69 123.82 20.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.497 ' CD2' HG23 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -138.56 148.62 44.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.527 ' C ' ' CD2' ' A' ' 91' ' ' LEU . 1.8 tt -88.83 109.98 20.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.474 ' CG ' ' HB2' ' A' ' 59' ' ' ASP . 9.2 tp . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.936 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.596 ' CE1' ' O ' ' A' ' 54' ' ' ARG . 9.1 p90 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.909 0.385 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 69.8 p -91.86 163.4 14.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.143 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 62.8 t -122.1 141.91 40.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.144 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -135.57 112.68 10.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.6 mtm -146.39 -179.99 7.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -125.06 175.33 7.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.891 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.436 ' NZ ' ' O ' ' A' ' 85' ' ' GLY . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.925 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.511 -0.235 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.666 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -153.61 137.28 16.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.834 0.35 . . . . 0.0 110.844 -179.855 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.4 t -117.5 161.53 19.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -122.15 170.43 12.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.162 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -146.49 161.29 40.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.92 -164.85 50.52 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.449 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 131.1 179.43 16.11 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.5 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -61.48 -21.47 64.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.78 0.324 . . . . 0.0 110.9 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -67.78 -33.24 74.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -110.62 7.37 22.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.896 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 60.34 49.14 7.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.2 ptm -153.8 160.72 42.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.533 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 0.7 OUTLIER -67.13 171.51 5.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.1 mt -94.95 120.52 35.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.533 ' CE1' ' O ' ' A' ' 37' ' ' ASP . 1.8 m-85 -121.34 158.99 27.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.945 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.4 t -71.96 108.98 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.138 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.418 ' CD1' ' C ' ' A' ' 41' ' ' LEU . 2.0 tm? -63.06 -57.86 9.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.517 ' HG2' ' N ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -156.17 154.67 31.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.517 ' N ' ' HG2' ' A' ' 42' ' ' ARG . 9.7 mt -113.32 139.47 48.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.75 113.99 19.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.076 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.457 ' HA ' ' CD1' ' A' ' 50' ' ' ILE . 11.5 pt-20 -59.91 -18.85 47.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -115.57 21.02 14.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.83 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -106.92 168.53 14.41 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.493 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -17.58 37.38 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.714 2.276 . . . . 0.0 112.319 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 52' ' ' ASN . . . -71.25 -69.46 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.105 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.457 ' CD1' ' HA ' ' A' ' 45' ' ' GLU . 4.9 tt -43.58 -25.67 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 53.2 mtp180 -78.65 -36.71 43.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 49' ' ' ALA . 0.2 OUTLIER -57.77 -60.5 3.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.502 ' O ' ' N ' ' A' ' 55' ' ' MET . . . 100.83 -52.46 0.92 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.457 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.596 ' O ' ' CE1' ' A' ' 13' ' ' PHE . 37.3 mmt-85 -34.3 -32.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.803 0.335 . . . . 0.0 110.86 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.502 ' N ' ' O ' ' A' ' 53' ' ' GLY . 13.7 ptm -122.67 146.51 47.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.69 -175.45 3.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.463 ' CG2' ' HB2' ' A' ' 43' ' ' LEU . 82.1 t -86.65 146.12 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.107 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 77.62 28.95 56.37 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.477 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -105.53 166.04 10.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.768 0.318 . . . . 0.0 110.863 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.492 ' NE2' ' O ' ' A' ' 61' ' ' ILE . 1.5 tm0? -109.58 113.21 25.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.492 ' O ' ' NE2' ' A' ' 60' ' ' GLN . 43.7 mt -85.45 126.97 40.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.469 ' CD1' ' N ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -104.58 -24.93 3.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 179.9 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.482 ' HB3' ' CB ' ' A' ' 91' ' ' LEU . 28.3 tt0 -132.29 150.88 52.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.422 ' N ' ' HG2' ' A' ' 63' ' ' GLU . 96.6 mt -146.18 105.16 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 80' ' ' LEU . 26.6 m-20 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.4 mtm . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.804 0.335 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 41.4 p -95.45 151.22 19.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.15 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 14.4 t-160 -39.11 -39.26 0.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.24 -53.86 52.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.083 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -47.97 -54.32 13.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.76 -44.78 66.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.122 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.9 mm -67.38 -14.57 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -94.85 -32.95 13.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.496 ' O ' ' ND2' ' A' ' 65' ' ' ASN . 26.7 mt -68.62 -41.47 79.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.966 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 28.5 mt -56.77 -35.0 44.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.109 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.412 ' HA ' ' NZ ' ' A' ' 19' ' ' LYS . 2.3 ptpt -97.17 -13.58 22.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.9 t -73.18 -36.28 66.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.822 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -70.85 -36.29 65.79 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.526 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.436 ' O ' ' NZ ' ' A' ' 19' ' ' LYS . . . 132.02 -129.51 5.62 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.485 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 12.3 mtm180 -94.83 -19.27 20.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.864 0.364 . . . . 0.0 110.909 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 39.5 mtp180 -109.56 123.41 49.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.472 HG22 ' CD2' ' A' ' 90' ' ' LEU . 13.0 p -122.78 148.85 26.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.137 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 12.7 ttt180 -141.02 115.17 9.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.846 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.472 ' CD2' HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -128.83 147.15 50.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.482 ' CB ' ' HB3' ' A' ' 63' ' ' GLU . 3.8 tt -86.25 115.35 23.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.447 ' N ' HD22 ' A' ' 91' ' ' LEU . 8.4 tp . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.598 ' CD2' ' O ' ' A' ' 92' ' ' LEU . 17.7 p90 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.922 0.392 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 46.2 p -98.9 155.29 17.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.109 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 72.6 t -113.59 143.79 22.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -136.12 113.81 11.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.829 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.3 mtm -148.9 175.57 11.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -120.63 174.91 6.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.502 ' N ' ' O ' ' A' ' 86' ' ' ARG . 21.1 ttmt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.647 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -153.05 140.18 19.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.829 0.347 . . . . 0.0 110.867 -179.831 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.405 ' HB3' ' HB3' ' A' ' 41' ' ' LEU . 1.2 t -116.72 166.68 11.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -128.7 170.35 18.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.086 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.533 ' HA ' ' CE1' ' A' ' 74' ' ' HIS . 10.4 ptt180 -150.84 169.29 22.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.825 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.96 -163.15 54.94 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.441 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 126.08 165.21 11.97 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.466 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -43.26 -34.6 1.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.761 0.315 . . . . 0.0 110.882 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -54.36 -41.01 68.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.927 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -106.1 19.75 20.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.922 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.9 mmtp 49.16 50.29 18.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 4.0 ptm -154.81 159.77 40.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.476 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 2.1 m-20 -66.69 171.31 5.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.3 mt -95.93 117.94 31.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.476 ' CE1' ' O ' ' A' ' 37' ' ' ASP . 1.2 m-85 -118.37 165.96 13.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.909 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.4 ' CG1' ' HA ' ' A' ' 57' ' ' VAL . 99.0 t -81.23 111.48 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.123 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.405 ' HB3' ' HB3' ' A' ' 27' ' ' SER . 1.8 tm? -62.15 -55.83 24.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.462 ' HG2' ' N ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -155.7 152.22 28.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.462 ' N ' ' HG2' ' A' ' 42' ' ' ARG . 7.6 mt -110.25 140.56 44.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -78.09 119.31 21.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.051 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.456 ' HA ' ' CD1' ' A' ' 50' ' ' ILE . 6.2 pt-20 -63.55 -23.5 67.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -116.51 25.66 10.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -106.73 170.78 16.41 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.426 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -28.25 25.65 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.674 2.25 . . . . 0.0 112.361 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 52' ' ' ASN . . . -63.81 -68.61 0.33 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.089 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.456 ' CD1' ' HA ' ' A' ' 45' ' ' GLU . 6.0 tt -44.33 -25.05 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.149 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 66.0 mtp85 -81.92 -33.81 30.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 49' ' ' ALA . 0.3 OUTLIER -58.83 -56.07 26.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' A' ' 55' ' ' MET . . . 95.56 -54.15 1.73 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.512 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.555 ' O ' ' CE1' ' A' ' 13' ' ' PHE . 48.4 mmt-85 -35.75 -31.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.832 0.349 . . . . 0.0 110.863 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.499 ' N ' ' O ' ' A' ' 53' ' ' GLY . 2.4 ptm -128.23 140.11 52.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.406 ' NH1' ' HA2' ' A' ' 53' ' ' GLY . 0.5 OUTLIER -130.71 171.2 13.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.929 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.486 HG22 ' N ' ' A' ' 58' ' ' GLY . 6.6 p -83.13 138.91 18.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.486 ' N ' HG22 ' A' ' 57' ' ' VAL . . . 103.52 -9.39 52.84 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.494 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.407 ' O ' ' HB3' ' A' ' 39' ' ' TYR . 23.2 m-20 -77.77 -174.75 3.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.742 0.305 . . . . 0.0 110.904 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.499 ' NE2' ' O ' ' A' ' 61' ' ' ILE . 10.2 tm0? -123.28 115.12 21.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.499 ' O ' ' NE2' ' A' ' 60' ' ' GLN . 21.8 mt -84.01 122.53 37.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.099 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.489 ' CD1' ' N ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -98.5 -31.82 3.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.846 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -131.74 150.45 52.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.927 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 43.4 mt -139.19 114.91 8.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.13 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.486 ' ND2' ' O ' ' A' ' 80' ' ' LEU . 29.2 m-20 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.473 ' CE ' HD12 ' A' ' 80' ' ' LEU . 6.5 mtm . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.922 0.391 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.433 ' O ' ' C ' ' A' ' 74' ' ' HIS . 33.7 p -105.76 147.55 28.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.2 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.533 ' CE1' ' HA ' ' A' ' 29' ' ' ARG . 12.7 t-160 -35.19 -41.85 0.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.815 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.66 -49.76 75.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 73' ' ' THR . 6.4 tpt180 -54.78 -63.18 1.23 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -43.97 -37.65 3.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.055 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 7.5 mm -66.16 -33.53 64.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.102 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 76' ' ' ARG . 2.1 pt-20 -81.96 -26.44 33.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.486 ' O ' ' ND2' ' A' ' 65' ' ' ASN . 92.5 mt -67.31 -42.41 83.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.94 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 20.0 mt -59.86 -30.1 44.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.145 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.6 ptpt -97.8 -17.97 19.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.1 t -73.19 -36.05 66.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -67.84 -41.92 87.41 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.497 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 131.44 -134.7 7.81 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.5 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.502 ' O ' ' N ' ' A' ' 19' ' ' LYS . 19.7 mtt-85 -88.18 -18.31 29.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.827 0.346 . . . . 0.0 110.881 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 81.5 mtt180 -113.68 123.09 49.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.489 HG23 ' CD2' ' A' ' 90' ' ' LEU . 12.5 p -119.55 149.27 22.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 26.8 ttt85 -141.39 114.48 8.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.489 ' CD2' HG23 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -129.34 148.91 51.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.446 HD23 ' N ' ' A' ' 92' ' ' LEU . 3.1 tt -87.8 114.56 24.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.598 ' O ' ' CD2' ' A' ' 13' ' ' PHE . 8.4 tp . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.596 ' CD1' ' O ' ' A' ' 92' ' ' LEU . 22.4 p90 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.944 0.402 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 64.5 p -91.87 160.35 15.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.148 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 57.8 t -118.48 148.49 21.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.185 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -136.21 118.5 15.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.473 ' HE2' ' CD2' ' A' ' 26' ' ' PHE . 3.8 mtm -152.22 169.06 23.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -121.18 175.01 6.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 86' ' ' ARG . 2.5 ttmm . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.646 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -153.2 143.85 22.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.837 0.351 . . . . 0.0 110.91 -179.868 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 14.0 t -122.36 159.41 27.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -118.63 169.96 8.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.112 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -146.08 165.55 28.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.838 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.03 -168.62 54.81 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.507 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 131.21 171.87 12.98 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.494 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -51.86 -28.1 14.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.755 0.312 . . . . 0.0 110.877 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -62.12 -37.93 86.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.927 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -106.93 9.69 30.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.0 mmtm 55.98 48.77 17.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.3 ptm -151.25 162.72 40.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.545 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 6.0 m-20 -67.85 168.53 11.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.87 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.4 mt -94.22 119.94 33.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.545 ' CE1' ' O ' ' A' ' 37' ' ' ASP . 2.0 m-85 -120.47 168.3 11.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.466 HG21 ' CE ' ' A' ' 55' ' ' MET . 77.4 t -82.08 97.96 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.104 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.494 ' CD1' ' C ' ' A' ' 41' ' ' LEU . 1.5 tm? -48.03 -64.36 0.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.42 ' C ' ' HD2' ' A' ' 42' ' ' ARG . 0.3 OUTLIER -149.82 177.32 9.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.431 ' CD1' ' HA ' ' A' ' 56' ' ' ARG . 11.4 mt -130.46 151.1 51.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -91.17 114.26 26.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.119 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.65 -26.01 42.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -111.96 22.03 15.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -103.47 162.88 15.67 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.504 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -23.84 30.42 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.709 2.273 . . . . 0.0 112.36 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.87 -61.5 1.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.09 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 9.8 tt -51.85 -17.91 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 -87.31 -29.16 21.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.924 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.58 ' ND2' ' H ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -61.73 -60.37 3.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.58 ' H ' ' ND2' ' A' ' 52' ' ' ASN . . . 108.94 -49.89 0.82 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.462 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.477 ' C ' ' O ' ' A' ' 53' ' ' GLY . 26.0 mmt85 -31.92 -69.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.851 0.358 . . . . 0.0 110.885 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.487 ' SD ' ' N ' ' A' ' 56' ' ' ARG . 0.3 OUTLIER -87.32 173.69 9.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.487 ' N ' ' SD ' ' A' ' 55' ' ' MET . 0.7 OUTLIER -175.58 -175.77 0.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 31.2 t -81.55 128.11 39.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 110.37 -9.55 30.84 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.486 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.509 ' CB ' ' CD2' ' A' ' 92' ' ' LEU . 56.2 m-20 -83.39 169.5 15.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.803 0.335 . . . . 0.0 110.852 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.499 ' NE2' ' O ' ' A' ' 61' ' ' ILE . 3.8 tm0? -123.34 114.25 19.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.499 ' O ' ' NE2' ' A' ' 60' ' ' GLN . 5.8 mt -80.7 125.2 39.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -103.55 -29.64 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.138 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.471 ' HG2' ' N ' ' A' ' 64' ' ' ILE . 11.7 tt0 -135.89 150.73 49.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.475 ' CD1' ' HB1' ' A' ' 77' ' ' ALA . 96.5 mt -137.2 124.12 29.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 179.952 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 5.1 mtm . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.855 0.36 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 76' ' ' ARG . 46.8 p -100.36 143.95 29.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.18 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.452 ' C ' ' O ' ' A' ' 73' ' ' THR . 17.3 t-160 -34.28 -38.57 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.834 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.78 -49.21 78.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.139 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 73' ' ' THR . 7.4 tpt180 -55.16 -62.45 1.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.475 ' HB1' ' CD1' ' A' ' 64' ' ' ILE . . . -45.79 -31.93 2.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.079 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 6.5 mm -72.77 -32.06 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -82.88 -23.98 33.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 45.3 mt -70.37 -40.85 73.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 18.8 mt -61.47 -30.21 47.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.9 ptpt -97.26 -16.61 20.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 29.7 t -75.82 -29.84 58.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -70.47 -44.96 56.76 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.437 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 133.61 -149.88 19.78 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.463 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 19' ' ' LYS . 8.6 mtm-85 -69.1 -28.29 66.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 0.0 110.908 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -109.74 126.17 53.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.402 HG22 ' CD2' ' A' ' 90' ' ' LEU . 7.6 p -120.07 136.53 56.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.159 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 45.2 ttt180 -130.57 112.69 13.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.402 ' CD2' HG22 ' A' ' 88' ' ' VAL . 0.1 OUTLIER -123.38 148.94 45.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.452 ' CB ' ' HB3' ' A' ' 63' ' ' GLU . 1.3 tt -86.25 106.6 17.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.596 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 6.9 tp . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -105.21 161.57 14.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.922 0.391 . . . . 0.0 110.837 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.0 m -151.68 137.47 18.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.837 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.29 134.73 2.04 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.538 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 m -72.73 170.55 14.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.842 0.353 . . . . 0.0 110.833 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.6 p -98.97 133.07 43.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.12 88.95 2.02 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.45 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -80.39 83.37 6.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.813 0.34 . . . . 0.0 110.899 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.52 176.77 5.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -61.53 -177.8 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -66.63 118.68 10.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -87.88 85.27 6.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.555 ' CZ ' ' O ' ' A' ' 54' ' ' ARG . 6.7 p90 -108.33 151.82 25.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 44.3 p -93.68 159.13 15.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.467 HG12 ' N ' ' A' ' 16' ' ' ASP . 84.2 t -117.32 143.41 27.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.467 ' N ' HG12 ' A' ' 15' ' ' VAL . 24.3 t0 -135.35 118.92 16.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.6 mtm -152.93 163.9 38.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -117.76 175.25 5.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 86' ' ' ARG . 0.1 OUTLIER -73.22 160.74 31.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -130.68 -157.34 8.9 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.456 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.31 -57.22 11.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.795 0.331 . . . . 0.0 111.077 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.9 mmtt -112.72 29.72 7.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 113.92 -174.93 15.95 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.523 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.566 ' CD1' HG13 ' A' ' 88' ' ' VAL . 87.3 m-85 -54.45 -22.84 13.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.918 0.39 . . . . 0.0 110.858 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.78 40.35 17.99 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.45 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.647 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -152.89 142.82 22.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.836 0.35 . . . . 0.0 110.902 -179.889 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.5 t -118.17 168.83 10.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.824 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -130.55 168.65 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.098 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.451 ' CD ' ' CE ' ' A' ' 36' ' ' MET . 0.0 OUTLIER -146.29 164.92 30.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.42 ' CA ' ' HG3' ' A' ' 36' ' ' MET . . . 76.8 -172.97 54.85 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.483 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 132.3 165.2 11.22 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.481 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.41 ' HG3' ' C ' ' A' ' 71' ' ' ASP . 9.6 mmm180 -46.82 -32.36 3.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.753 0.311 . . . . 0.0 110.869 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -58.38 -36.73 73.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -109.21 6.88 25.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 49.3 mmtm 58.77 53.91 5.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.451 ' CE ' ' CD ' ' A' ' 29' ' ' ARG . 3.3 ptm -157.82 160.11 37.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.499 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . 2.4 m-20 -64.22 170.66 3.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.898 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.3 mt -98.16 118.44 34.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.499 ' CZ ' ' HB2' ' A' ' 37' ' ' ASP . 1.9 m-85 -118.64 168.18 10.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.922 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 76.6 t -85.34 101.72 10.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.137 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.496 ' CD1' ' C ' ' A' ' 41' ' ' LEU . 0.6 OUTLIER -49.04 -67.31 0.28 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.469 ' HD3' ' N ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -147.36 -179.87 7.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.469 ' N ' ' HD3' ' A' ' 42' ' ' ARG . 11.8 mt -131.37 150.53 52.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.944 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.45 118.87 27.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.079 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -58.66 -33.3 69.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -111.54 36.66 3.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -119.97 165.18 13.56 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.531 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -16.2 37.49 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.742 2.294 . . . . 0.0 112.336 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.25 -60.72 2.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.105 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 9.4 tt -55.32 -15.29 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.16 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 39.4 mtp180 -94.2 -19.28 20.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -65.72 -57.0 9.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.47 ' O ' ' CD ' ' A' ' 56' ' ' ARG . . . 98.03 -53.71 1.21 Allowed Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.475 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.555 ' O ' ' CZ ' ' A' ' 13' ' ' PHE . 17.8 mmt180 -40.35 -30.73 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.756 0.312 . . . . 0.0 110.851 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -123.74 139.66 53.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.47 ' CD ' ' O ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -132.62 -176.11 3.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.84 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.0 t -91.0 117.02 33.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.116 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 114.88 19.54 5.99 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.472 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.43 176.43 5.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.723 0.296 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.495 ' NE2' ' O ' ' A' ' 61' ' ' ILE . 1.4 tm0? -120.48 118.23 29.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.495 ' O ' ' NE2' ' A' ' 60' ' ' GLN . 14.4 mt -86.39 119.99 35.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.421 ' CG1' HD22 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -101.04 -18.06 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 179.872 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -142.09 151.72 42.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 78.5 mt -142.84 116.97 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.114 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 33.2 m-20 56.13 27.4 11.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.88 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.411 ' HA2' ' NH2' ' A' ' 89' ' ' ARG . . . 77.42 13.4 83.59 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.532 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 68' ' ' SER . 8.9 mt-10 -110.33 106.68 16.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.855 0.359 . . . . 0.0 110.877 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 67' ' ' GLU . 61.4 m -34.49 120.63 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 43.2 p -83.61 58.58 4.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.154 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 28.9 ptt180 -119.38 149.37 41.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.41 ' C ' ' HG3' ' A' ' 32' ' ' ARG . 57.8 m-20 48.37 27.85 1.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 4.9 mtm -106.11 153.38 22.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 76' ' ' ARG . 35.5 p -106.38 145.81 31.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.414 ' C ' ' O ' ' A' ' 73' ' ' THR . 18.7 t-160 -37.2 -34.22 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.69 -46.78 83.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.115 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 73' ' ' THR . 6.7 tpt180 -54.7 -64.27 0.89 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -45.87 -33.06 2.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.105 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.6 mm -70.48 -32.39 49.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.13 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -84.02 -24.69 30.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 26.6 mt -67.92 -39.15 83.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 21.2 mt -63.83 -30.91 51.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.8 ptpt -97.04 -15.82 20.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 33.9 t -75.64 -34.65 60.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.832 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -71.33 -39.95 61.21 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.5 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 132.11 -127.83 5.06 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.497 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.502 ' O ' ' CE1' ' A' ' 24' ' ' PHE . 8.7 mtt-85 -94.31 -18.73 21.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.82 0.343 . . . . 0.0 110.879 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 31.3 mtm180 -109.47 122.81 48.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.566 HG13 ' CD1' ' A' ' 24' ' ' PHE . 8.8 p -122.96 124.68 70.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.12 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.411 ' NH2' ' HA2' ' A' ' 66' ' ' GLY . 17.4 ttp85 -118.74 112.49 19.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.48 ' CD2' HG23 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -125.56 146.71 49.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.421 HD22 ' CG1' ' A' ' 62' ' ' ILE . 3.6 tt -84.69 112.83 20.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.493 ' CD1' ' CG1' ' A' ' 61' ' ' ILE . 6.7 tp -124.67 150.9 45.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.7 pttt -134.93 129.19 33.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.94 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 11.2 tpt85 -79.27 141.21 37.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -86.41 36.58 3.2 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.469 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 13.3 t -82.55 -28.99 30.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.828 0.347 . . . . 0.0 111.174 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 86.24 178.94 49.71 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.42 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.7 p -85.22 1.32 48.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.873 0.368 . . . . 0.0 110.855 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 126.19 -157.6 20.13 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.501 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 115.25 4.01 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.688 2.259 . . . . 0.0 112.367 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.5 m -86.19 85.84 7.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 46.7 t -160.53 139.59 10.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.866 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.498 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.1 t -57.47 -49.94 74.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.816 0.341 . . . . 0.0 110.812 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.4 t -94.22 79.42 3.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.97 -157.48 8.17 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.8 m -46.23 131.95 10.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.862 0.363 . . . . 0.0 110.866 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 m -94.17 97.33 10.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.829 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.45 94.62 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.503 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -128.31 89.77 2.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.813 0.339 . . . . 0.0 110.908 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.518 ' HB3' ' CZ ' ' A' ' 12' ' ' TYR . 2.0 p30 -43.5 159.58 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.833 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.573 ' CE1' ' HE2' ' A' ' 93' ' ' LYS . 36.0 p90 -164.57 129.19 2.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.839 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.4 t70 62.33 45.69 6.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.884 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.518 ' CZ ' ' HB3' ' A' ' 9' ' ' ASP . 2.5 m-85 -77.55 86.5 3.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.461 ' CE1' ' O ' ' A' ' 54' ' ' ARG . 19.4 p90 -110.7 153.19 25.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 51.4 p -93.75 162.22 14.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.092 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 32.7 t -126.04 145.66 33.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.127 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -135.82 123.24 21.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.5 mtm -155.45 174.89 14.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.487 ' O ' ' CD2' ' A' ' 24' ' ' PHE . 3.8 mp0 -116.94 174.26 6.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.83 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.57 ' HE2' ' CE1' ' A' ' 24' ' ' PHE . 13.0 ttmm -87.51 167.07 14.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.882 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -125.44 -122.2 2.59 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.501 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.55 -56.43 3.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.9 0.381 . . . . 0.0 111.052 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.05 25.45 10.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.941 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 133.67 -163.9 24.4 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.513 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.618 ' CE2' ' CG1' ' A' ' 88' ' ' VAL . 51.6 m-85 -82.25 37.52 0.5 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.899 0.381 . . . . 0.0 110.866 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 24' ' ' PHE . . . 36.67 40.24 0.45 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.503 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.647 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -153.15 138.35 17.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.868 0.366 . . . . 0.0 110.877 -179.888 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.2 t -112.36 164.65 13.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.838 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.467 ' CD1' ' HB2' ' A' ' 77' ' ' ALA . 0.5 OUTLIER -126.95 168.63 19.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.117 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.427 ' HA ' ' CE1' ' A' ' 74' ' ' HIS . 5.1 ptp85 -147.54 161.51 40.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.43 -167.69 53.31 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.505 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 132.01 168.58 12.11 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.487 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.435 ' NE ' ' HA ' ' A' ' 32' ' ' ARG . 3.2 mmp_? -49.16 -27.96 3.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.812 0.339 . . . . 0.0 110.884 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -61.86 -35.69 79.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -108.98 11.32 25.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 47.1 mmtt 57.85 47.26 15.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.2 ptm -152.45 162.55 41.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.49 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 0.4 OUTLIER -69.7 170.92 9.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.837 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.5 mt -95.76 116.14 28.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.49 ' CE1' ' O ' ' A' ' 37' ' ' ASP . 1.8 m-85 -113.43 167.31 10.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 39.7 t -82.64 101.55 7.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.131 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.45 ' CD1' ' C ' ' A' ' 41' ' ' LEU . 1.0 OUTLIER -53.67 -66.07 0.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.477 ' HG2' ' N ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -150.42 150.11 30.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.814 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.477 ' N ' ' HG2' ' A' ' 42' ' ' ARG . 12.1 mt -106.03 151.13 25.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.69 118.58 29.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.419 ' HA ' ' CD1' ' A' ' 50' ' ' ILE . 7.9 pt-20 -59.67 -23.84 63.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.855 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -116.51 25.77 10.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -108.41 167.42 13.21 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.506 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -26.77 27.06 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.648 2.232 . . . . 0.0 112.357 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.441 ' CB ' ' HB3' ' A' ' 26' ' ' PHE . . . -65.61 -63.96 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.116 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.419 ' CD1' ' HA ' ' A' ' 45' ' ' GLU . 5.1 tt -46.98 -23.73 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.148 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 66.3 mtp180 -82.91 -31.26 27.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 49' ' ' ALA . 0.4 OUTLIER -58.06 -59.46 5.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.495 ' O ' ' N ' ' A' ' 55' ' ' MET . . . 98.65 -53.6 1.11 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.499 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.461 ' O ' ' CE1' ' A' ' 13' ' ' PHE . 50.5 mmt-85 -36.84 -29.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.769 0.319 . . . . 0.0 110.878 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.495 ' N ' ' O ' ' A' ' 53' ' ' GLY . 3.1 ptm -125.28 146.11 49.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.452 ' NH1' ' O ' ' A' ' 53' ' ' GLY . 5.3 mpt_? -140.13 -177.3 4.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 88.0 t -81.07 138.63 19.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.139 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 96.22 -24.82 28.51 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.482 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.52 ' CB ' ' CD2' ' A' ' 92' ' ' LEU . 6.0 m-20 -54.81 169.33 0.22 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.8 0.333 . . . . 0.0 110.84 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.495 ' NE2' ' O ' ' A' ' 61' ' ' ILE . 1.4 tm0? -121.43 117.68 27.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.503 ' CG1' ' CD1' ' A' ' 92' ' ' LEU . 6.7 mt -90.55 127.36 43.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.113 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.513 ' CD1' ' N ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -105.4 -16.87 7.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 179.878 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -140.66 149.04 41.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 56.1 mt -141.19 119.9 10.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.162 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.41 ' ND2' ' O ' ' A' ' 80' ' ' LEU . 29.5 m-20 52.56 27.3 4.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 82.22 34.27 23.94 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.478 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -127.06 158.84 35.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.807 0.337 . . . . 0.0 110.888 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 34.7 p -85.56 96.47 9.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.83 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 58.0 p -59.08 -9.67 2.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.124 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -67.42 -25.59 66.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -123.32 52.07 1.42 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.1 mtm -149.46 144.99 26.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 44.9 p -94.99 158.69 15.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.119 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.427 ' CE1' ' HA ' ' A' ' 29' ' ' ARG . 13.5 t-160 -44.27 -29.48 0.66 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.63 -50.33 38.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -49.6 -53.04 26.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.467 ' HB2' ' CD1' ' A' ' 28' ' ' ILE . . . -54.2 -50.13 67.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.089 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.9 mm -60.16 -16.96 13.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.072 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -95.21 -33.46 12.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.41 ' O ' ' ND2' ' A' ' 65' ' ' ASN . 30.7 mt -70.19 -40.26 74.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 20.7 mt -57.51 -32.7 42.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.159 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 7.3 ptpt -97.18 -12.08 23.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.6 t -81.17 -30.08 34.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.823 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -70.6 -43.39 60.7 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.501 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 134.7 -130.44 5.51 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.463 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 19' ' ' LYS . 6.8 mtm-85 -90.8 -24.34 20.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.79 0.328 . . . . 0.0 110.87 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 -109.3 130.62 55.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.618 ' CG1' ' CE2' ' A' ' 24' ' ' PHE . 11.9 p -124.86 142.19 42.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.131 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 42.6 ttt180 -133.25 121.17 22.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.414 ' CD2' HG21 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -135.89 150.19 49.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.47 HD23 ' CG1' ' A' ' 62' ' ' ILE . 3.7 tt -88.89 117.48 27.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.52 ' CD2' ' CB ' ' A' ' 59' ' ' ASP . 6.8 tp -127.06 146.82 50.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.573 ' HE2' ' CE1' ' A' ' 10' ' ' PHE . 9.1 ptmt -118.57 129.35 55.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 6.7 tpp85 -109.41 131.3 55.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -88.24 74.5 2.13 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 10.1 t -104.26 -33.97 8.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.857 0.36 . . . . 0.0 111.181 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -104.05 160.01 16.22 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.454 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 11.6 t -174.65 148.72 1.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.92 0.391 . . . . 0.0 110.869 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -67.4 -75.91 0.43 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.515 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 133.41 25.5 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.696 2.264 . . . . 0.0 112.349 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 45.0 m -102.58 147.93 26.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 7.8 t 68.12 43.95 1.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.826 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.505 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.5 m -127.82 91.17 3.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.884 0.373 . . . . 0.0 110.894 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.1 m -95.77 41.96 1.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.0 64.16 0.25 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.507 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.6 p -45.16 -45.11 11.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.869 0.366 . . . . 0.0 110.859 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.7 m -128.66 82.3 2.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.813 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.1 -37.35 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.45 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 -100.39 83.11 2.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.771 0.319 . . . . 0.0 110.954 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.582 ' HB3' ' CE1' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -104.99 -173.58 2.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -78.88 43.67 0.51 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.482 ' O ' ' N ' ' A' ' 13' ' ' PHE . 2.0 t70 73.79 54.67 0.11 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.582 ' CE1' ' HB3' ' A' ' 9' ' ' ASP . 2.5 m-30 -47.93 89.64 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.482 ' CZ ' ' O ' ' A' ' 54' ' ' ARG . 11.4 p90 -107.82 155.23 20.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 76.1 p -95.64 162.47 13.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.196 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 44.5 t -119.79 144.62 27.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.121 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -135.56 114.34 11.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.851 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.0 mtm -147.41 168.44 21.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.446 ' CG ' ' HG2' ' A' ' 87' ' ' ARG . 3.1 mt-10 -117.42 170.02 9.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.513 ' CE ' ' CE2' ' A' ' 24' ' ' PHE . 12.3 ttmt -83.2 146.51 28.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -105.88 -136.8 8.6 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.439 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.91 -49.1 14.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.815 0.34 . . . . 0.0 111.106 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.86 28.88 8.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 116.78 -176.14 16.1 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.512 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.571 ' CE1' HG13 ' A' ' 88' ' ' VAL . 69.7 m-85 -59.41 -15.48 17.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.887 0.375 . . . . 0.0 110.845 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.38 40.89 18.05 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.522 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.628 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -153.3 137.17 16.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.884 0.374 . . . . 0.0 110.883 -179.887 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.6 t -111.02 158.28 18.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.841 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -123.18 170.08 13.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.136 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.438 ' HA ' ' CE1' ' A' ' 74' ' ' HIS . 10.8 ptt180 -150.49 165.32 33.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.866 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.05 -167.71 53.64 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.46 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.52 167.74 12.26 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.477 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -45.68 -34.52 3.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.781 0.324 . . . . 0.0 110.847 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -56.36 -39.99 73.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -104.57 18.09 22.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 68.8 mmtt 49.8 46.91 23.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 4.0 ptm -151.43 169.89 20.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.587 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 0.7 OUTLIER -77.3 170.63 16.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.88 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.406 ' CD1' ' HB ' ' A' ' 69' ' ' THR . 8.3 mt -94.36 122.58 37.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.587 ' CE1' ' O ' ' A' ' 37' ' ' ASP . 1.0 OUTLIER -122.84 168.1 12.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.447 ' CG1' ' HE3' ' A' ' 55' ' ' MET . 41.5 t -81.42 102.98 7.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.187 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.464 ' CD1' ' C ' ' A' ' 41' ' ' LEU . 1.0 OUTLIER -55.3 -63.77 1.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.466 ' HG2' ' N ' ' A' ' 43' ' ' LEU . 0.5 OUTLIER -153.86 151.48 29.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.466 ' N ' ' HG2' ' A' ' 42' ' ' ARG . 11.9 mt -104.12 147.26 27.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.408 ' O ' ' CG2' ' A' ' 50' ' ' ILE . . . -85.21 118.5 24.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.142 179.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.445 ' HA ' ' CD1' ' A' ' 50' ' ' ILE . 11.4 pt-20 -61.52 -20.75 63.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -116.16 31.77 6.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -122.56 164.57 15.53 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.512 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.41 ' N ' HH21 ' A' ' 51' ' ' ARG . 53.6 Cg_endo -69.8 -23.5 30.53 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.668 2.245 . . . . 0.0 112.328 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.435 ' CB ' ' HB3' ' A' ' 26' ' ' PHE . . . -65.62 -55.01 19.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.116 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.445 ' CD1' ' HA ' ' A' ' 45' ' ' GLU . 16.0 tt -58.2 -18.38 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.41 HH21 ' N ' ' A' ' 48' ' ' PRO . 48.2 mtm180 -94.62 -18.16 21.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -64.2 -55.75 19.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.422 ' O ' ' N ' ' A' ' 55' ' ' MET . . . 96.0 -54.26 1.61 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.506 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.482 ' O ' ' CZ ' ' A' ' 13' ' ' PHE . 66.0 mtt85 -37.61 -32.01 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.841 0.353 . . . . 0.0 110.885 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.447 ' HE3' ' CG1' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -124.58 150.21 46.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.0 mpt_? -142.31 -178.13 5.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 94.4 t -84.63 122.81 38.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.132 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 116.04 -33.94 4.95 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.492 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.406 ' CB ' HD21 ' A' ' 92' ' ' LEU . 57.2 m-20 -50.98 168.75 0.05 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.788 0.328 . . . . 0.0 110.812 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.435 ' NE2' ' O ' ' A' ' 61' ' ' ILE . 17.0 tm0? -117.41 121.56 41.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.963 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.5 ' CG1' ' CD1' ' A' ' 92' ' ' LEU . 8.4 mt -93.52 128.63 44.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.41 ' N ' HD13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -107.36 -20.41 6.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 179.854 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -137.83 148.66 45.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.443 HG13 ' CG2' ' A' ' 69' ' ' THR . 75.8 mt -141.4 123.98 14.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.092 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.422 ' ND2' ' O ' ' A' ' 80' ' ' LEU . 25.9 m-20 48.99 43.77 22.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 65.21 35.89 92.18 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.535 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -135.05 128.72 32.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.839 0.352 . . . . 0.0 110.908 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.1 t -61.14 121.86 13.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.443 ' CG2' HG13 ' A' ' 64' ' ' ILE . 19.0 p -96.2 49.13 1.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.158 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.8 ttt180 -100.48 -42.54 6.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.2 p30 -116.85 47.22 1.5 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 9.3 mtm -124.07 156.82 35.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 75' ' ' ALA . 67.6 p -107.17 146.5 31.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.438 ' CE1' ' HA ' ' A' ' 29' ' ' ARG . 13.6 t-160 -34.44 -36.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 73' ' ' THR . . . -61.26 -54.03 49.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.472 ' NE ' HD23 ' A' ' 80' ' ' LEU . 6.2 tpt180 -47.67 -55.8 8.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -49.66 -48.8 49.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.12 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.5 mm -60.82 -21.2 23.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.6 -33.25 16.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.828 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.472 HD23 ' NE ' ' A' ' 76' ' ' ARG . 40.2 mt -67.79 -39.66 84.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 24.7 mt -60.15 -33.76 54.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.158 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -97.44 -19.37 18.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.0 t -77.26 -30.12 54.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.872 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -68.63 -46.99 59.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.473 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 137.16 -132.0 5.8 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.468 ' O ' ' N ' ' A' ' 19' ' ' LYS . 43.1 mtt180 -92.12 -21.53 20.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.816 0.341 . . . . 0.0 110.855 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.446 ' HG2' ' CG ' ' A' ' 18' ' ' GLU . 62.7 mtt180 -115.34 122.88 47.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.571 HG13 ' CE1' ' A' ' 24' ' ' PHE . 11.0 p -118.82 145.75 24.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.169 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.413 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 43.6 ttt180 -136.13 117.24 14.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.481 ' CD2' HG21 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -129.45 147.24 51.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.455 HD23 ' N ' ' A' ' 92' ' ' LEU . 4.0 tt -82.81 120.48 25.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.5 ' CD1' ' CG1' ' A' ' 61' ' ' ILE . 7.4 tp -134.48 145.72 49.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.402 ' NZ ' ' HB3' ' A' ' 60' ' ' GLN . 17.0 pttm -125.45 130.07 51.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.428 ' HD3' ' N ' ' A' ' 95' ' ' GLY . 2.8 tmt_? -90.47 144.99 25.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.841 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.428 ' N ' ' HD3' ' A' ' 94' ' ' ARG . . . -86.15 60.07 4.62 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.504 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.43 ' O ' ' C ' ' A' ' 97' ' ' GLY . 10.1 t -97.8 -41.06 8.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.824 0.345 . . . . 0.0 111.157 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 96' ' ' THR . . . -35.39 -77.07 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.488 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.1 t -108.96 37.61 2.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.849 0.357 . . . . 0.0 110.839 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 45.68 -171.54 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.497 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 179.54 3.64 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.673 2.249 . . . . 0.0 112.351 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.5 t 69.03 42.08 1.32 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.84 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 20.9 m -77.07 92.23 3.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.489 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.4 m -73.36 151.69 41.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.902 0.382 . . . . 0.0 110.85 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t 60.75 49.56 6.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.23 133.9 11.5 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.487 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.3 t -140.05 122.73 16.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.921 0.391 . . . . 0.0 110.852 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.9 t -122.52 92.09 3.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.88 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.25 85.91 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.527 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -119.21 111.34 18.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.867 0.365 . . . . 0.0 110.875 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.453 ' HB2' ' CZ ' ' A' ' 12' ' ' TYR . 8.8 m-20 -123.6 -175.08 3.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.481 ' CD2' ' O ' ' A' ' 94' ' ' ARG . 9.3 m-85 -63.02 -174.9 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.42 116.64 6.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.834 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.453 ' CZ ' ' HB2' ' A' ' 9' ' ' ASP . 13.4 m-85 -84.46 97.11 9.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.945 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.542 ' CD1' ' O ' ' A' ' 92' ' ' LEU . 30.1 p90 -111.0 161.57 15.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.882 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 64.4 p -103.93 157.33 17.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.162 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 44.6 t -114.39 143.32 24.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.146 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -135.64 110.85 8.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.5 mtm -145.39 178.5 8.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.459 ' CG ' ' HG2' ' A' ' 87' ' ' ARG . 7.9 mt-10 -128.25 173.74 9.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.42 ' CE ' ' CE2' ' A' ' 24' ' ' PHE . 9.2 ttmt -83.81 149.85 26.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -115.53 -151.85 9.97 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.472 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.22 -50.24 71.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.861 0.362 . . . . 0.0 111.111 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -110.43 29.77 7.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 109.02 -174.15 18.06 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.504 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.689 ' CE1' ' CG1' ' A' ' 88' ' ' VAL . 62.9 m-85 -56.64 -15.68 4.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.907 0.384 . . . . 0.0 110.911 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.06 37.22 29.52 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.636 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -152.32 143.24 23.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.853 0.359 . . . . 0.0 110.84 -179.847 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.5 t -115.28 172.18 7.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.405 ' O ' ' NE2' ' A' ' 74' ' ' HIS . 0.6 OUTLIER -136.49 170.26 18.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.183 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.486 ' HA ' ' CE1' ' A' ' 74' ' ' HIS . 4.7 ptp180 -151.25 170.06 20.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.45 -171.26 51.7 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.474 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 130.89 171.76 12.97 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.5 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.5 mmt180 -50.64 -27.32 6.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.778 0.323 . . . . 0.0 110.883 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -62.55 -32.81 73.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -114.68 12.13 17.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.96 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.82 53.63 10.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.3 ptm -157.54 163.02 38.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.553 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 1.2 m-20 -67.34 171.0 6.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.5 mt -97.65 117.69 32.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.553 ' CE1' ' O ' ' A' ' 37' ' ' ASP . 0.4 OUTLIER -119.47 163.61 17.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 64.8 t -78.89 111.62 15.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.125 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -61.07 -57.61 11.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.479 ' HG2' ' N ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -158.73 149.3 19.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.479 ' N ' ' HG2' ' A' ' 42' ' ' ARG . 10.8 mt -100.55 151.07 22.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -86.39 116.68 24.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -63.11 -22.77 67.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -113.12 15.67 19.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -103.35 167.07 16.46 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.47 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -29.02 24.28 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.678 2.252 . . . . 0.0 112.336 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.32 -60.88 3.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.074 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 5.6 tt -53.35 -16.83 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.127 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.2 mtp-105 -89.76 -27.28 20.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.59 -58.26 8.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 55' ' ' MET . . . 98.85 -54.21 1.05 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.489 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.511 ' O ' ' CE2' ' A' ' 13' ' ' PHE . 11.9 mmp_? -37.46 -31.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.821 0.344 . . . . 0.0 110.85 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.447 ' N ' ' O ' ' A' ' 53' ' ' GLY . 2.2 ptm -127.24 140.43 52.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.448 ' HA ' ' CD1' ' A' ' 43' ' ' LEU . 0.4 OUTLIER -135.99 171.5 14.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.891 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -79.98 128.84 38.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.155 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 112.67 2.2 25.71 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.528 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -92.76 170.69 9.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.739 0.304 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 61' ' ' ILE . 5.8 tm0? -112.18 114.54 27.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.444 ' O ' ' NE2' ' A' ' 60' ' ' GLN . 23.7 mt -83.05 125.65 40.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.494 ' CD1' ' N ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -103.16 -23.96 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.87 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.435 ' N ' HG22 ' A' ' 69' ' ' THR . 18.1 tt0 -137.38 154.7 49.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.47 HG13 ' CG2' ' A' ' 69' ' ' THR . 96.1 mt -142.48 115.17 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.469 ' ND2' ' O ' ' A' ' 80' ' ' LEU . 34.0 m-20 56.35 27.41 11.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.829 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 82.61 33.15 25.67 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.52 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -134.61 131.96 38.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.896 0.379 . . . . 0.0 110.842 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.5 m -57.63 104.21 0.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.829 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.47 ' CG2' HG13 ' A' ' 64' ' ' ILE . 40.7 p -50.1 -18.12 0.52 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.148 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 38.6 ttt180 -67.2 141.81 57.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 71.9 26.33 2.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 4.1 mtm -127.55 144.81 51.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.418 ' O ' ' N ' ' A' ' 75' ' ' ALA . 35.6 p -97.55 148.89 22.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.133 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.486 ' CE1' ' HA ' ' A' ' 29' ' ' ARG . 17.1 t-160 -40.07 -28.38 0.05 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 73' ' ' THR . . . -69.68 -49.89 49.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.103 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.407 ' NE ' HD22 ' A' ' 80' ' ' LEU . 7.7 tpt180 -54.17 -59.4 4.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.421 ' HB3' ' CD1' ' A' ' 64' ' ' ILE . . . -48.49 -34.55 11.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.163 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.8 mm -69.34 -27.51 34.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 76' ' ' ARG . 1.8 pt-20 -88.5 -23.59 23.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.469 ' O ' ' ND2' ' A' ' 65' ' ' ASN . 83.3 mt -71.65 -42.87 67.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 23.8 mt -57.61 -32.41 42.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.162 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -97.22 -16.27 20.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 39.0 t -73.84 -32.52 63.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -69.15 -39.98 82.82 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.534 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 130.4 -139.71 11.17 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.51 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 19' ' ' LYS . 15.7 mtm180 -82.29 -22.51 35.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.79 0.328 . . . . 0.0 110.867 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.459 ' HG2' ' CG ' ' A' ' 18' ' ' GLU . 70.7 mtp180 -112.47 123.06 49.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.689 ' CG1' ' CE1' ' A' ' 24' ' ' PHE . 10.6 p -118.85 147.21 22.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.149 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 19.9 ttm180 -140.72 116.91 10.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.481 ' CD2' HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -127.78 150.5 49.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.47 HD22 ' CG1' ' A' ' 62' ' ' ILE . 2.0 tt -87.18 112.0 21.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.542 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 8.5 tp -121.31 152.35 39.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.451 ' CG ' HD13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -137.43 129.62 29.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.794 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.481 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 3.6 mmt85 -72.69 162.08 29.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.434 ' HA2' ' CE2' ' A' ' 10' ' ' PHE . . . -105.03 51.9 0.75 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.466 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.7 t -106.54 -8.12 17.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.815 0.34 . . . . 0.0 111.103 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -69.82 -45.86 55.88 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.458 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.5 t -68.38 130.3 42.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.898 0.38 . . . . 0.0 110.892 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 76.04 165.9 20.24 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.459 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 0.51 5.53 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.667 2.245 . . . . 0.0 112.357 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.1 p 60.8 43.36 12.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.864 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.5 t -98.11 -45.0 6.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.891 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.475 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.3 p -134.94 99.36 4.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.865 0.364 . . . . 0.0 110.866 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.4 p -63.17 170.37 2.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.815 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.74 -112.96 0.49 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.5 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.7 m 47.99 37.83 8.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.873 0.368 . . . . 0.0 110.887 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.1 m -110.92 76.54 0.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.841 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.15 81.81 0.23 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.515 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -120.65 18.91 11.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.803 0.335 . . . . 0.0 110.949 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.571 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 6.1 m-20 -51.42 -175.46 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.532 ' CE2' ' HA ' ' A' ' 96' ' ' THR . 76.2 m-85 -52.18 -175.89 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -52.53 123.74 11.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.571 ' CE2' ' HB2' ' A' ' 9' ' ' ASP . 2.6 m-85 -107.47 75.95 1.05 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.495 ' CE1' ' O ' ' A' ' 54' ' ' ARG . 32.7 p90 -107.79 158.68 17.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.877 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 59.2 p -102.72 156.54 17.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.105 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.467 HG13 ' N ' ' A' ' 16' ' ' ASP . 66.5 t -114.01 143.78 23.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.107 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.467 ' N ' HG13 ' A' ' 15' ' ' VAL . 36.8 t70 -135.29 115.98 13.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.8 mtm -151.68 171.73 17.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.871 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.47 ' O ' ' CD2' ' A' ' 24' ' ' PHE . 9.4 mt-10 -117.09 174.69 5.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 86' ' ' ARG . 35.4 ttmt -88.39 152.43 21.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -109.76 -125.01 4.92 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.485 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.29 -56.6 3.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.856 0.36 . . . . 0.0 111.144 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -109.66 24.06 13.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 129.21 -165.5 21.89 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.463 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.634 ' CE2' ' CG1' ' A' ' 88' ' ' VAL . 46.6 m-85 -82.31 39.4 0.59 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.868 0.366 . . . . 0.0 110.893 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.462 ' C ' ' O ' ' A' ' 24' ' ' PHE . . . 32.33 40.73 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.451 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.654 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -153.09 140.93 20.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.869 0.366 . . . . 0.0 110.896 -179.898 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.2 t -117.95 165.23 13.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.467 ' CD1' ' HB3' ' A' ' 77' ' ' ALA . 0.4 OUTLIER -126.55 169.88 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.12 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.458 ' HA ' ' CE1' ' A' ' 74' ' ' HIS . 4.0 ptp180 -145.99 165.06 30.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.5 -167.11 53.81 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 132.05 168.21 12.02 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.521 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -52.41 -19.03 1.9 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.747 0.308 . . . . 0.0 110.864 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -69.13 -36.41 77.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -107.87 8.04 28.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.6 mptt 60.79 50.36 5.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.2 ptm -153.88 167.06 30.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.545 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 22.6 m-20 -73.4 170.51 14.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.4 mt -94.57 117.53 30.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.918 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.545 ' CE1' ' O ' ' A' ' 37' ' ' ASP . 1.5 m-85 -118.01 167.1 11.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 29.7 t -76.5 112.54 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.133 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.415 ' C ' HD11 ' A' ' 41' ' ' LEU . 3.5 tm? -66.87 -60.78 2.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.458 ' HG2' ' N ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -155.35 149.28 25.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.458 ' N ' ' HG2' ' A' ' 42' ' ' ARG . 11.8 mt -107.22 150.2 26.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.82 117.87 28.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.107 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -62.46 -15.12 48.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -121.17 12.24 11.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -96.76 168.24 24.83 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.492 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -25.75 28.45 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.702 2.268 . . . . 0.0 112.364 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 52' ' ' ASN . . . -64.42 -66.03 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.8 tt -45.96 -22.75 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -84.84 -32.25 23.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.846 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 49' ' ' ALA . 0.3 OUTLIER -58.1 -59.4 5.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.917 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' A' ' 55' ' ' MET . . . 99.36 -54.09 0.99 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.434 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.495 ' O ' ' CE1' ' A' ' 13' ' ' PHE . 16.5 mmt85 -34.52 -32.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.789 0.328 . . . . 0.0 110.861 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.5 ' N ' ' O ' ' A' ' 53' ' ' GLY . 4.1 ptm -123.92 144.94 49.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.419 ' HD3' ' C ' ' A' ' 55' ' ' MET . 0.4 OUTLIER -138.02 -176.32 4.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.831 -179.89 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.454 HG12 ' N ' ' A' ' 58' ' ' GLY . 57.7 t -85.5 140.51 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.454 ' N ' HG12 ' A' ' 57' ' ' VAL . . . 92.31 3.77 66.95 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.472 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.477 ' CB ' ' CD2' ' A' ' 92' ' ' LEU . 4.0 m-20 -87.54 166.77 14.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.769 0.318 . . . . 0.0 110.841 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.465 ' NE2' ' O ' ' A' ' 61' ' ' ILE . 1.4 tm0? -113.22 119.02 36.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.513 ' CG1' ' CD1' ' A' ' 92' ' ' LEU . 12.4 mt -90.84 122.8 42.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.468 ' CD1' ' HG2' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -100.45 -35.05 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.161 179.833 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -120.56 145.33 47.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 50.9 mt -137.77 110.49 7.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.127 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.481 ' ND2' ' O ' ' A' ' 80' ' ' LEU . 34.2 m-20 53.24 39.82 30.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 70.73 33.59 66.68 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.497 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -133.32 124.05 26.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.873 0.368 . . . . 0.0 110.837 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 79.3 p -56.68 120.94 8.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.904 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.2 p -94.55 51.85 1.47 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.138 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -106.12 -33.78 7.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.849 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -125.0 44.99 2.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 4.9 mtm -126.44 141.16 51.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 40.7 p -91.87 154.67 18.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.458 ' CE1' ' HA ' ' A' ' 29' ' ' ARG . 9.5 t-160 -40.46 -33.09 0.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.83 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.23 -54.96 21.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.08 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -48.75 -47.95 41.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.865 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.467 ' HB3' ' CD1' ' A' ' 28' ' ' ILE . . . -58.28 -47.76 82.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.108 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.8 mm -62.45 -17.95 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.083 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -93.72 -33.05 13.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.481 ' O ' ' ND2' ' A' ' 65' ' ' ASN . 24.9 mt -68.85 -35.58 77.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 21.3 mt -62.56 -35.5 70.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -97.08 -12.76 22.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.5 t -74.03 -34.87 64.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -70.05 -42.53 67.84 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.474 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 134.94 -131.88 6.04 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.506 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 19' ' ' LYS . 49.0 mtt180 -90.68 -18.36 25.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.756 0.312 . . . . 0.0 110.869 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.468 ' CZ ' ' HB2' ' A' ' 87' ' ' ARG . 21.4 mtm105 -111.55 123.84 51.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.634 ' CG1' ' CE2' ' A' ' 24' ' ' PHE . 10.9 p -122.39 144.73 30.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.456 ' N ' HG21 ' A' ' 88' ' ' VAL . 17.0 ttm180 -139.04 114.13 9.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.851 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -127.8 147.71 50.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.953 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.466 HD23 ' N ' ' A' ' 92' ' ' LEU . 3.2 tt -88.43 115.39 25.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.513 ' CD1' ' CG1' ' A' ' 61' ' ' ILE . 10.2 tp -117.71 148.51 41.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.939 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.468 ' HG2' ' CD1' ' A' ' 62' ' ' ILE . 2.2 ptmt -115.03 128.72 56.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.463 ' HD3' ' N ' ' A' ' 95' ' ' GLY . 0.0 OUTLIER -101.9 154.9 18.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.463 ' N ' ' HD3' ' A' ' 94' ' ' ARG . . . 89.01 -14.64 60.01 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.478 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.532 ' HA ' ' CE2' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -80.64 -25.97 37.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.836 0.351 . . . . 0.0 111.15 -179.864 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -112.75 -115.06 3.33 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.507 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 70.9 p -146.85 160.19 42.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.937 0.399 . . . . 0.0 110.883 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -176.77 -169.69 38.38 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.508 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 116.36 4.52 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.678 2.252 . . . . 0.0 112.364 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.9 t -74.37 81.18 1.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 35.9 p -165.68 133.86 3.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.8 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.502 -179.988 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.8 t -72.32 83.88 1.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.858 0.361 . . . . 0.0 110.868 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.1 p -100.34 113.36 26.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.878 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.91 167.41 18.81 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.512 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.3 t -94.63 94.94 8.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.841 0.353 . . . . 0.0 110.868 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.3 m -102.94 127.88 49.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.869 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.15 -116.53 2.47 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.474 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -114.11 24.26 12.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.766 0.317 . . . . 0.0 110.914 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.425 ' C ' ' CD1' ' A' ' 10' ' ' PHE . 0.6 OUTLIER -60.03 -175.4 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.849 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.425 ' CD1' ' C ' ' A' ' 9' ' ' ASP . 0.1 OUTLIER -127.07 -174.01 3.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 -179.909 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.4 ' O ' ' OD1' ' A' ' 11' ' ' ASP . 0.5 OUTLIER -38.53 126.89 1.46 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.901 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -94.44 85.04 4.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.625 ' CD1' ' O ' ' A' ' 92' ' ' LEU . 30.3 p90 -107.81 157.16 18.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.847 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 76.6 p -100.84 155.38 17.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 85.3 t -110.55 142.55 22.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -135.81 114.54 11.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.3 mtm -150.3 174.72 12.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -119.42 175.07 6.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 86' ' ' ARG . 26.2 ttmt -84.9 159.59 20.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -118.33 -125.4 3.49 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.464 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.88 -56.63 3.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.856 0.36 . . . . 0.0 111.088 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.8 mtmm -115.89 30.97 7.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.95 -165.42 20.17 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.461 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.623 ' CE2' ' CG1' ' A' ' 88' ' ' VAL . 55.4 m-85 -81.45 40.67 0.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.91 0.386 . . . . 0.0 110.901 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.467 ' C ' ' O ' ' A' ' 24' ' ' PHE . . . 31.21 40.11 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.506 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.654 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -153.04 143.62 22.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.9 0.381 . . . . 0.0 110.857 -179.881 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 46.6 t -118.99 164.37 15.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.808 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.466 ' CD1' ' HB1' ' A' ' 77' ' ' ALA . 0.7 OUTLIER -124.06 169.21 15.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.104 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.574 ' HA ' ' CE1' ' A' ' 74' ' ' HIS . 1.2 ptp180 -148.25 156.02 42.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.63 -172.48 53.44 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 138.37 171.08 12.04 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.527 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.8 mmm180 -55.5 -17.58 5.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.765 0.317 . . . . 0.0 110.837 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.4 ' N ' HG23 ' A' ' 73' ' ' THR . 5.1 tp10 -72.87 -32.52 65.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -108.92 6.29 25.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.3 mptt 64.55 41.32 5.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.925 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 2.7 ptm -147.92 165.32 31.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.528 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 3.8 m-20 -72.54 170.98 13.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.854 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.435 ' CD1' ' HB ' ' A' ' 69' ' ' THR . 10.5 mt -95.59 118.15 31.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.946 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.528 ' CE1' ' O ' ' A' ' 37' ' ' ASP . 1.4 m-85 -117.34 167.78 10.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 86.6 t -82.56 100.13 6.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.128 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.417 HD11 ' CG ' ' A' ' 42' ' ' ARG . 3.3 tm? -49.17 -65.3 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.477 ' HD3' ' N ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -147.42 -177.82 5.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.477 ' N ' ' HD3' ' A' ' 42' ' ' ARG . 10.8 mt -134.74 147.61 50.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.958 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -88.34 120.04 29.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.068 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -60.84 -24.45 65.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -116.06 23.85 11.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -104.77 168.42 16.03 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.452 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -26.35 27.77 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.727 2.285 . . . . 0.0 112.387 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 52' ' ' ASN . . . -65.29 -67.05 0.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.137 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.5 tt -44.75 -21.65 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 51.8 mtp85 -87.08 -33.29 19.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.825 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 49' ' ' ALA . 0.4 OUTLIER -56.77 -57.54 12.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.918 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.502 ' O ' ' N ' ' A' ' 55' ' ' MET . . . 96.41 -53.53 1.53 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.469 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.45 ' O ' ' CZ ' ' A' ' 13' ' ' PHE . 14.5 mtp180 -36.37 -29.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.779 0.323 . . . . 0.0 110.863 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.502 ' N ' ' O ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -123.09 161.94 23.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.424 ' HD3' ' C ' ' A' ' 55' ' ' MET . 1.3 mpp_? -155.89 -175.19 5.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.861 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 42.7 t -86.93 135.17 25.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.151 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 99.47 7.41 54.07 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.48 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.42 ' HB3' ' CG ' ' A' ' 92' ' ' LEU . 70.0 m-20 -90.34 157.24 17.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.78 0.324 . . . . 0.0 110.85 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.501 ' NE2' ' O ' ' A' ' 61' ' ' ILE . 3.6 tm0? -109.07 109.55 20.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.501 ' O ' ' NE2' ' A' ' 60' ' ' GLN . 8.0 mt -82.25 136.23 23.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.116 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.481 ' CD1' ' HD2' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -116.85 -26.65 2.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.163 179.855 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -130.64 135.27 47.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 50.3 mt -132.34 123.51 50.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.099 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.422 ' ND2' ' O ' ' A' ' 80' ' ' LEU . 51.5 m-20 47.63 33.75 3.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.7 32.14 51.42 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.511 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -128.26 137.97 52.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.845 0.355 . . . . 0.0 110.921 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.2 m -67.9 100.24 0.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.435 ' HB ' ' CD1' ' A' ' 38' ' ' LEU . 17.8 p -66.53 -2.8 5.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.137 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.3 ttt180 -71.31 -22.01 61.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -128.36 52.14 1.93 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 5.5 mtm -147.08 146.21 29.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.4 HG23 ' N ' ' A' ' 33' ' ' GLU . 49.1 p -91.88 166.9 12.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.167 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.574 ' CE1' ' HA ' ' A' ' 29' ' ' ARG . 9.3 t-160 -53.83 -24.02 14.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.938 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.03 -51.39 16.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.074 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -48.75 -54.77 13.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.466 ' HB1' ' CD1' ' A' ' 28' ' ' ILE . . . -52.78 -50.06 64.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.088 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.8 mm -60.19 -17.77 14.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.92 -33.62 12.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.422 ' O ' ' ND2' ' A' ' 65' ' ' ASN . 33.8 mt -69.78 -38.99 76.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.952 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 12.5 mt -58.71 -32.47 46.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.145 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -97.11 -14.88 21.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.4 t -78.78 -31.75 46.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -70.39 -34.59 68.61 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.521 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 127.37 -127.94 6.0 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.483 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 19' ' ' LYS . 18.8 mtt-85 -96.43 -17.98 20.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.787 0.327 . . . . 0.0 110.889 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 26.1 mtp85 -111.85 127.55 55.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.623 ' CG1' ' CE2' ' A' ' 24' ' ' PHE . 14.3 p -123.41 140.35 47.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.159 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 5.5 ttp180 -133.68 121.54 22.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.469 ' CD2' HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -136.81 149.2 47.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.2 tt -82.6 129.04 34.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.966 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.625 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 11.0 tp -141.77 151.75 43.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.939 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.481 ' HD2' ' CD1' ' A' ' 62' ' ' ILE . 0.6 OUTLIER -121.91 129.18 52.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.839 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.77 146.18 46.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -83.57 79.79 1.88 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.475 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 10.1 t -110.2 -8.26 14.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.842 0.353 . . . . 0.0 111.139 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 91.89 -179.84 41.42 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.516 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.0 m -89.43 42.36 1.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.916 0.388 . . . . 0.0 110.839 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 41.93 70.87 0.41 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.481 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 127.72 14.93 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.672 2.248 . . . . 0.0 112.313 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 83.1 p -110.79 83.67 1.8 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.874 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 19.0 t -159.93 147.83 16.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.82 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.52 179.996 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.4 m -100.59 41.4 1.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.875 0.369 . . . . 0.0 110.827 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.2 m -119.92 165.3 14.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.879 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.78 -40.46 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.483 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t 49.53 44.3 24.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.908 0.385 . . . . 0.0 110.866 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t 65.06 47.6 2.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.869 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.29 125.33 1.6 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.471 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -123.49 105.4 9.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.833 0.349 . . . . 0.0 110.939 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.48 169.95 13.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.584 ' CD2' ' HD3' ' A' ' 93' ' ' LYS . 1.3 m-85 -126.8 -174.76 3.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -42.36 103.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -79.89 92.53 5.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.955 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.544 ' CE1' ' O ' ' A' ' 54' ' ' ARG . 18.4 p90 -107.66 156.71 18.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.844 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 32.2 p -101.07 158.99 15.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.114 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 39.4 t -113.98 143.35 23.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.145 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -135.62 114.52 12.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.3 mtm -149.6 173.25 13.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -124.01 171.58 9.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.518 ' CE ' ' CE2' ' A' ' 24' ' ' PHE . 9.7 ttmt -84.22 144.99 28.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.922 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -109.81 -140.69 8.83 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.475 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.77 -53.44 11.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.813 0.339 . . . . 0.0 111.067 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.1 mmtt -106.82 28.67 7.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 110.2 -176.9 19.41 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.454 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.69 ' CE1' ' CG1' ' A' ' 88' ' ' VAL . 69.5 m-85 -54.03 -21.23 7.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.899 0.381 . . . . 0.0 110.894 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.43 39.21 9.16 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.611 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.4 OUTLIER -152.78 147.07 25.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.873 0.368 . . . . 0.0 110.884 -179.911 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.2 t -119.68 164.04 16.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -126.1 170.2 16.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.437 ' HD2' ' N ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -149.76 167.42 26.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.827 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.437 ' N ' ' HD2' ' A' ' 29' ' ' ARG . . . 74.27 -169.93 53.71 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.473 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 131.74 168.68 12.17 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.417 ' HG3' ' C ' ' A' ' 71' ' ' ASP . 9.7 mmm180 -49.41 -27.25 3.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.767 0.318 . . . . 0.0 110.85 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.498 ' OE1' ' CZ ' ' A' ' 34' ' ' TYR . 4.4 tt0 -61.93 -36.06 80.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.498 ' CZ ' ' OE1' ' A' ' 33' ' ' GLU . 1.9 m-85 -110.59 11.75 22.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.6 mptt 54.44 52.73 11.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.886 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.435 ' CE ' ' CD ' ' A' ' 29' ' ' ARG . 3.6 ptm -155.67 161.61 40.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . 2.8 m-20 -66.0 171.04 4.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.7 mt -97.42 123.86 41.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.522 ' CZ ' ' HB2' ' A' ' 37' ' ' ASP . 2.4 m-85 -124.58 163.81 21.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 85.1 t -79.15 100.93 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.052 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.42 ' CD1' ' C ' ' A' ' 41' ' ' LEU . 0.5 OUTLIER -49.06 -66.87 0.33 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.888 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.488 ' HG2' ' N ' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -152.3 149.26 28.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.854 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.488 ' N ' ' HG2' ' A' ' 42' ' ' ARG . 10.8 mt -98.48 151.18 20.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -91.16 113.33 25.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.096 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.454 ' HA ' ' CD1' ' A' ' 50' ' ' ILE . 11.9 pt-20 -58.32 -26.08 62.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -107.25 25.65 11.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -114.88 163.56 12.17 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.539 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -22.26 32.28 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.696 2.264 . . . . 0.0 112.374 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.05 -58.05 6.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.454 ' CD1' ' HA ' ' A' ' 45' ' ' GLU . 8.4 tt -52.67 -15.63 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 77.7 mtt180 -92.07 -26.78 18.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -61.77 -60.2 4.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.485 ' O ' ' N ' ' A' ' 55' ' ' MET . . . 100.29 -54.01 0.91 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.544 ' O ' ' CE1' ' A' ' 13' ' ' PHE . 21.2 mmt180 -36.48 -30.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.85 0.357 . . . . 0.0 110.93 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.485 ' N ' ' O ' ' A' ' 53' ' ' GLY . 3.2 ptm -128.99 143.51 50.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.465 ' HA ' ' CD1' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -141.15 171.41 14.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -78.12 122.33 32.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 117.71 0.93 17.72 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.513 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.43 ' CB ' ' CD2' ' A' ' 92' ' ' LEU . 1.1 m-20 -89.51 -177.02 5.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 110.875 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 61' ' ' ILE . 3.2 tm0? -123.37 116.77 23.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.498 ' O ' ' NE2' ' A' ' 60' ' ' GLN . 6.7 mt -86.87 121.36 37.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.163 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -104.98 -19.91 6.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.099 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.451 ' HB3' ' CB ' ' A' ' 91' ' ' LEU . 15.4 tp10 -136.75 155.5 49.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.834 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.472 HG13 ' CG2' ' A' ' 69' ' ' THR . 72.3 mt -147.72 115.13 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.132 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.3 m-20 50.08 47.73 23.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 57.33 27.02 57.46 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -120.43 102.84 8.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.868 0.366 . . . . 0.0 110.924 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 52.0 m -38.09 109.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.825 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.472 ' CG2' HG13 ' A' ' 64' ' ' ILE . 19.3 p -75.56 54.83 0.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.197 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -107.86 135.08 49.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.417 ' C ' ' HG3' ' A' ' 32' ' ' ARG . 4.7 m-20 55.16 34.19 22.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 5.9 mtm -105.64 149.5 26.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 76' ' ' ARG . 53.0 p -100.77 147.74 25.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 17.7 t-160 -38.51 -36.95 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.827 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.71 -46.67 87.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 73' ' ' THR . 8.0 tpt180 -53.08 -64.86 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -46.35 -38.51 8.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.088 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.8 mm -62.58 -31.3 51.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' A' ' 76' ' ' ARG . 1.5 pt-20 -84.64 -28.19 26.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.418 ' CB ' HG23 ' A' ' 64' ' ' ILE . 46.9 mt -65.94 -38.88 89.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 20.4 mt -62.83 -30.29 49.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.167 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -97.32 -16.07 20.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.8 t -75.41 -34.22 61.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -68.28 -42.93 81.57 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.481 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 129.08 -140.69 11.91 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.454 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.469 ' O ' ' N ' ' A' ' 19' ' ' LYS . 15.6 mtt-85 -78.27 -25.23 46.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.863 0.363 . . . . 0.0 110.928 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 42.6 mtm180 -109.96 123.13 49.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.825 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.69 ' CG1' ' CE1' ' A' ' 24' ' ' PHE . 9.2 p -120.35 137.34 54.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.148 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 26.5 ttt180 -131.5 111.91 12.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.462 ' CD2' HG23 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -124.83 145.71 49.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.451 ' CB ' ' HB3' ' A' ' 63' ' ' GLU . 2.0 tt -86.37 108.99 18.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.945 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.47 ' CD1' HG12 ' A' ' 61' ' ' ILE . 10.8 tp -105.57 156.14 18.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.584 ' HD3' ' CD2' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -126.25 128.22 46.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.817 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 27.4 tpt180 -97.77 129.79 44.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.566 ' HA2' ' CD2' ' A' ' 10' ' ' PHE . . . -88.78 47.32 3.4 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.455 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 8.8 t -74.05 -12.64 60.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.821 0.343 . . . . 0.0 111.145 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -76.95 175.66 53.69 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.543 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 99' ' ' GLY . 6.7 p -88.19 5.54 41.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.915 0.388 . . . . 0.0 110.889 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 98' ' ' SER . . . 37.16 -98.68 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.48 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 136.95 34.22 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.699 2.266 . . . . 0.0 112.335 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 50.4 m -81.89 42.95 0.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.859 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 70.1 p -99.05 155.14 17.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.828 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.501 -179.967 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.3 m -138.13 138.04 38.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.917 0.389 . . . . 0.0 110.8 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.6 p -54.35 96.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.852 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.72 -177.15 32.99 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.466 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.0 p -126.59 154.86 43.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.889 0.376 . . . . 0.0 110.895 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 7' ' ' GLY . 15.2 m -131.56 108.48 9.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.833 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 35.13 79.53 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.459 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -86.03 34.9 0.62 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.82 0.343 . . . . 0.0 110.925 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.596 ' CG ' ' CZ ' ' A' ' 12' ' ' TYR . 1.1 m-20 -111.44 171.15 7.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.577 ' CE1' ' HE2' ' A' ' 93' ' ' LYS . 50.5 p90 -114.67 -13.67 12.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -172.75 114.52 0.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.596 ' CZ ' ' CG ' ' A' ' 9' ' ' ASP . 1.9 m-30 -116.66 75.48 0.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.586 ' CD1' ' O ' ' A' ' 92' ' ' LEU . 19.6 p90 -108.08 151.29 26.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.882 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 68.1 p -94.23 159.71 15.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.163 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.2 t -116.87 149.54 19.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.174 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -135.51 117.23 15.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.7 mtm -151.57 171.78 17.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.844 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.47 ' O ' ' CD1' ' A' ' 24' ' ' PHE . 4.8 mt-10 -122.82 173.92 7.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.566 ' HE2' ' CE2' ' A' ' 24' ' ' PHE . 1.5 ttmm -82.45 153.45 25.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -122.68 -162.29 11.49 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.489 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -52.42 -51.86 56.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.863 0.363 . . . . 0.0 111.108 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.1 mmtm -111.32 30.62 6.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 105.15 -179.39 23.88 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.672 ' CE1' ' CG1' ' A' ' 88' ' ' VAL . 74.7 m-85 -51.56 -16.73 0.66 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.908 0.385 . . . . 0.0 110.868 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.89 44.28 38.11 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.501 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.634 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -153.31 132.72 12.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.853 0.359 . . . . 0.0 110.849 -179.856 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 31.7 t -106.81 161.22 14.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -125.54 169.8 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.1 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.55 ' HA ' ' CE1' ' A' ' 74' ' ' HIS . 1.8 ptp180 -149.53 162.97 39.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.837 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.31 -173.01 54.17 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.488 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 131.7 175.66 14.09 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.465 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 -57.21 -12.41 2.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.814 0.34 . . . . 0.0 110.861 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.465 ' CG ' ' HB ' ' A' ' 73' ' ' THR . 19.0 mt-10 -76.75 -28.9 55.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -118.17 6.92 12.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.9 mmmm 61.53 49.04 5.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.889 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.2 ptm -153.7 163.52 39.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.582 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 0.8 OUTLIER -68.31 171.12 7.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.4 mt -95.4 117.05 29.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.582 ' CE1' ' O ' ' A' ' 37' ' ' ASP . 0.7 OUTLIER -116.75 168.17 10.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.4 t -82.13 106.57 13.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.131 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.402 ' C ' HD12 ' A' ' 41' ' ' LEU . 2.7 tm? -58.64 -65.23 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.475 ' HG2' ' N ' ' A' ' 43' ' ' LEU . 0.8 OUTLIER -149.97 150.46 31.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.475 ' N ' ' HG2' ' A' ' 42' ' ' ARG . 12.4 mt -102.87 151.21 22.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.52 114.46 24.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.094 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -54.61 -41.05 69.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -101.53 19.07 18.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -100.29 164.06 19.12 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.476 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -18.94 36.66 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.67 2.247 . . . . 0.0 112.346 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.42 -62.3 1.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 7.0 tt -51.2 -19.06 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.111 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -87.61 -27.32 22.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.04 -56.05 22.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.497 ' O ' ' CD ' ' A' ' 56' ' ' ARG . . . 95.19 -53.79 1.84 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.471 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.435 ' O ' ' CZ ' ' A' ' 13' ' ' PHE . 17.6 mmt85 -36.98 -29.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.75 0.31 . . . . 0.0 110.83 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.521 ' HE1' ' CG ' ' A' ' 26' ' ' PHE . 2.3 ptt? -127.64 137.7 52.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.497 ' CD ' ' O ' ' A' ' 53' ' ' GLY . 0.3 OUTLIER -134.67 -174.49 3.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.908 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 48.3 t -89.03 131.25 36.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.127 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 111.17 -7.32 28.91 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.482 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.479 ' HB2' ' CD2' ' A' ' 92' ' ' LEU . 1.3 m-20 -84.58 171.28 12.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.77 0.319 . . . . 0.0 110.887 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.598 HE21 ' N ' ' A' ' 61' ' ' ILE . 0.9 OUTLIER -117.8 124.5 48.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.598 ' N ' HE21 ' A' ' 60' ' ' GLN . 12.7 mt -95.61 119.89 44.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.464 HD13 ' CG ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -98.38 -17.1 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.85 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -139.54 156.01 47.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 89.7 mt -147.23 113.39 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.163 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.495 ' ND2' ' O ' ' A' ' 80' ' ' LEU . 24.5 m-20 57.88 44.43 19.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 66.3 32.03 80.81 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.478 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -131.72 125.52 32.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.882 0.372 . . . . 0.0 110.877 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 95.5 p -59.8 121.4 11.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 18.7 p -98.28 65.65 1.7 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.0 ptp180 -110.67 -34.08 6.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -129.12 50.89 2.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 4.9 mtm -124.3 143.74 50.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.465 ' HB ' ' CG ' ' A' ' 33' ' ' GLU . 9.7 p -91.71 143.65 26.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.55 ' CE1' ' HA ' ' A' ' 29' ' ' ARG . 11.1 t-160 -34.05 -37.4 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 73' ' ' THR . . . -60.0 -53.73 54.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.066 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' A' ' 73' ' ' THR . 9.6 tpp180 -48.38 -52.07 23.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.836 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -53.01 -50.96 63.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 3.3 mm -57.17 -14.56 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.125 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.92 -41.97 8.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.495 ' O ' ' ND2' ' A' ' 65' ' ' ASN . 25.7 mt -59.62 -36.1 75.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 26.3 mt -62.64 -36.09 73.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.145 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.3 ptpt -96.43 -11.5 25.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.2 t -83.47 -28.38 28.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.838 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -71.79 -37.28 61.27 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.472 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 127.91 -137.38 9.74 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.492 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 19' ' ' LYS . 22.5 mtt-85 -86.34 -21.92 26.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.779 0.323 . . . . 0.0 110.868 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 58.4 mtt180 -114.22 122.85 48.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.672 ' CG1' ' CE1' ' A' ' 24' ' ' PHE . 7.7 p -118.74 143.74 28.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.171 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 21.9 ttm180 -137.26 112.45 9.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.448 ' CD2' HG22 ' A' ' 88' ' ' VAL . 0.1 OUTLIER -121.38 154.48 36.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.443 ' C ' ' CD2' ' A' ' 91' ' ' LEU . 2.2 tt -91.28 111.2 22.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.916 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.586 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 11.4 tp -117.4 156.01 28.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.577 ' HE2' ' CE1' ' A' ' 10' ' ' PHE . 9.1 mtpt -108.05 128.83 55.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.475 ' HG3' ' N ' ' A' ' 95' ' ' GLY . 23.9 tpt180 -114.24 160.26 19.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.475 ' N ' ' HG3' ' A' ' 94' ' ' ARG . . . 104.18 -7.24 47.57 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.519 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.426 HG22 ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -87.01 -38.22 16.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.821 0.343 . . . . 0.0 111.138 -179.838 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 55.61 163.2 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.481 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 82.9 p -170.46 128.98 0.84 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.888 0.375 . . . . 0.0 110.835 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -123.42 173.34 16.37 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 91.47 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.694 2.263 . . . . 0.0 112.342 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 52.5 p -105.71 94.11 5.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 27.9 p -120.0 158.44 26.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.532 -179.996 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.7 p -95.51 126.58 40.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.892 0.377 . . . . 0.0 110.831 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -116.33 -63.69 1.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.838 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 37.57 89.0 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.497 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.9 t -131.27 141.41 49.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.848 0.356 . . . . 0.0 110.875 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.4 t -138.86 123.35 18.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.865 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.19 79.68 0.22 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.529 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -82.74 86.85 6.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.798 0.332 . . . . 0.0 110.945 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.406 ' CG ' ' CE2' ' A' ' 12' ' ' TYR . 0.3 OUTLIER -148.29 -175.77 5.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.459 ' CG ' ' HB ' ' A' ' 96' ' ' THR . 2.3 m-85 -92.45 -53.52 4.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.882 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -175.07 104.95 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.406 ' CE2' ' CG ' ' A' ' 9' ' ' ASP . 7.3 m-85 -79.31 80.16 5.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.954 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.605 ' CD1' ' O ' ' A' ' 92' ' ' LEU . 13.7 p90 -107.81 150.01 27.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.854 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 77.2 p -92.93 161.48 14.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.14 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 47.7 t -121.23 148.66 24.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.137 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -135.81 118.24 15.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.8 mtm -151.52 171.35 17.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.942 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.417 ' O ' ' CD2' ' A' ' 24' ' ' PHE . 5.1 mt-10 -118.62 174.44 6.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.493 ' CE ' ' CE1' ' A' ' 24' ' ' PHE . 18.3 ttmt -86.59 154.43 21.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -114.58 -119.65 3.39 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.511 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.87 -56.82 3.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.851 0.357 . . . . 0.0 111.098 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.9 mtmm -115.27 30.32 7.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.937 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 128.41 -166.55 20.92 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.461 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.583 ' CE2' HG11 ' A' ' 88' ' ' VAL . 46.4 m-85 -81.78 40.28 0.59 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.887 0.375 . . . . 0.0 110.872 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.48 ' C ' ' O ' ' A' ' 24' ' ' PHE . . . 30.98 41.15 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.659 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -150.78 137.8 19.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.901 0.382 . . . . 0.0 110.859 -179.88 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.9 t -116.71 159.22 22.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.838 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -119.98 167.34 13.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.178 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.96 164.96 29.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.17 -162.41 53.63 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.492 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 132.47 171.7 12.84 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.536 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.462 ' NE ' ' HA ' ' A' ' 32' ' ' ARG . 3.3 mmp_? -55.59 -29.97 60.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.785 0.326 . . . . 0.0 110.876 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -60.9 -37.85 83.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -102.86 17.29 24.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.964 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp 50.81 46.8 25.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.902 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.8 ptm -151.84 162.95 40.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.93 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.537 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 1.9 m-20 -72.03 171.21 12.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.428 ' CD1' ' HB ' ' A' ' 69' ' ' THR . 8.4 mt -94.81 124.53 38.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.537 ' CE1' ' O ' ' A' ' 37' ' ' ASP . 2.3 m-85 -123.4 167.26 14.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.7 t -78.59 98.69 2.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.131 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.488 ' CD1' ' C ' ' A' ' 41' ' ' LEU . 0.9 OUTLIER -51.31 -61.42 2.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.48 ' HG2' ' N ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -155.64 151.56 27.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.934 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.48 ' N ' ' HG2' ' A' ' 42' ' ' ARG . 10.3 mt -107.08 145.44 32.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -84.59 119.12 24.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.453 ' HA ' ' CD1' ' A' ' 50' ' ' ILE . 17.2 pt-20 -61.95 -27.08 68.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.935 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -111.91 27.71 9.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -112.02 169.94 13.37 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.494 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -28.26 25.56 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.728 2.285 . . . . 0.0 112.334 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 52' ' ' ASN . . . -61.95 -68.85 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.079 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.453 ' CD1' ' HA ' ' A' ' 45' ' ' GLU . 4.8 tt -42.92 -25.13 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.134 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 90.3 mtt-85 -82.65 -35.25 27.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.472 ' N ' ' O ' ' A' ' 49' ' ' ALA . 0.3 OUTLIER -55.8 -60.14 3.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.508 ' O ' ' N ' ' A' ' 55' ' ' MET . . . 97.97 -51.79 1.29 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.452 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.505 ' O ' ' CE2' ' A' ' 13' ' ' PHE . 74.7 mtt-85 -33.76 -33.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.784 0.326 . . . . 0.0 110.904 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.508 ' N ' ' O ' ' A' ' 53' ' ' GLY . 9.0 ptm -126.8 149.98 49.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -138.83 -175.18 4.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.408 HG13 ' N ' ' A' ' 58' ' ' GLY . 79.7 t -85.38 144.38 9.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.408 ' N ' HG13 ' A' ' 57' ' ' VAL . . . 95.26 -25.58 23.59 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.507 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.485 ' CB ' ' CD2' ' A' ' 92' ' ' LEU . 30.9 m-20 -56.15 173.84 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.786 0.327 . . . . 0.0 110.868 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.7 tm0? -123.21 116.57 23.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.471 ' CG1' HD13 ' A' ' 92' ' ' LEU . 5.3 mt -86.64 130.15 37.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.465 ' CG1' HD23 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -107.82 -21.46 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.129 179.877 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -143.25 158.68 43.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.842 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 78.1 mt -147.89 126.82 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.111 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 27.8 m-20 46.62 44.67 13.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.852 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 65.58 39.04 95.29 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.478 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -135.54 127.36 29.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.866 0.365 . . . . 0.0 110.876 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.4 m -64.54 109.01 1.83 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.428 ' HB ' ' CD1' ' A' ' 38' ' ' LEU . 24.8 p -82.09 50.31 1.55 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.435 ' HB2' ' NH1' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -102.05 -31.89 10.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -128.09 43.56 3.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 8.6 mtm -121.61 149.53 43.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 74' ' ' HIS . 30.9 p -99.44 149.0 23.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.161 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.406 ' C ' ' O ' ' A' ' 73' ' ' THR . 12.7 t-160 -36.72 -37.04 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.32 -53.55 55.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.082 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.461 ' NE ' HD21 ' A' ' 80' ' ' LEU . 6.6 tpt180 -49.05 -55.31 12.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -51.73 -46.44 64.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.131 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 3.4 mm -62.99 -18.97 22.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.146 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -93.43 -32.24 14.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.461 HD21 ' NE ' ' A' ' 76' ' ' ARG . 30.7 mt -66.71 -37.64 85.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.892 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 21.8 mt -62.0 -34.38 62.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 7.8 ptpt -96.82 -15.84 21.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.4 t -79.0 -22.85 44.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -77.81 -50.72 6.28 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.446 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 144.0 -131.87 4.62 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.497 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 19' ' ' LYS . 12.4 mtm-85 -90.58 -23.74 20.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.786 0.327 . . . . 0.0 110.828 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 67.1 mtp180 -112.18 125.61 54.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.583 HG11 ' CE2' ' A' ' 24' ' ' PHE . 14.9 p -120.13 138.09 51.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.114 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -131.38 113.4 13.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.48 ' CD2' HG21 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -123.21 154.11 39.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.465 HD23 ' CG1' ' A' ' 62' ' ' ILE . 2.7 tt -91.15 110.07 21.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.605 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 9.8 tp -118.4 156.9 28.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.408 ' NZ ' HG22 ' A' ' 96' ' ' THR . 7.0 mtpm? -107.82 128.51 54.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.862 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.444 ' HG3' ' N ' ' A' ' 95' ' ' GLY . 16.4 tpt180 -91.41 159.44 15.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.444 ' N ' ' HG3' ' A' ' 94' ' ' ARG . . . 80.49 -37.88 2.26 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.444 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.459 ' HB ' ' CG ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -69.41 -26.29 64.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.843 0.354 . . . . 0.0 111.105 -179.813 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -79.67 -141.79 2.48 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.461 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 37.0 m -71.83 117.41 13.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.9 0.381 . . . . 0.0 110.828 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -152.3 -128.46 1.38 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.476 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 82.57 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.682 2.255 . . . . 0.0 112.369 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 37.7 m -109.21 -48.29 3.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.829 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 10.2 t -41.83 143.2 0.56 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.823 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.477 -179.978 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.9 t -45.62 -48.27 14.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.833 0.349 . . . . 0.0 110.862 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.9 t -133.34 111.95 11.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.12 -90.5 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.472 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 m -103.08 157.93 16.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.866 0.365 . . . . 0.0 110.865 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.3 t -68.41 151.83 46.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.916 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.78 140.98 40.21 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.472 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -94.96 -44.42 7.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.821 0.343 . . . . 0.0 110.952 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.31 -175.5 0.48 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.448 ' CE2' ' HA2' ' A' ' 95' ' ' GLY . 52.7 m-85 -74.45 -176.06 2.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -59.78 100.4 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -73.88 83.52 1.69 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.503 ' CE1' ' O ' ' A' ' 54' ' ' ARG . 9.5 p90 -107.66 147.86 30.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 22.3 p -91.73 155.0 18.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.136 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.457 HG13 ' N ' ' A' ' 16' ' ' ASP . 84.6 t -111.52 143.79 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.457 ' N ' HG13 ' A' ' 15' ' ' VAL . 22.4 t70 -135.06 120.05 18.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.8 mtm -154.67 174.23 15.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.472 ' O ' ' CD2' ' A' ' 24' ' ' PHE . 4.4 mt-10 -118.85 174.05 6.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 86' ' ' ARG . 9.8 ttpt -93.04 143.48 26.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.943 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -98.47 -117.68 3.83 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.468 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.12 -56.93 2.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.844 0.354 . . . . 0.0 111.096 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -107.69 31.08 5.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.858 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 121.43 -169.31 14.46 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.472 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.611 ' CE2' ' CG1' ' A' ' 88' ' ' VAL . 40.7 m-85 -78.89 41.9 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.928 0.394 . . . . 0.0 110.889 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 24' ' ' PHE . . . 31.02 42.25 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.455 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.655 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -153.29 136.88 15.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.832 0.349 . . . . 0.0 110.857 -179.859 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 m -111.69 160.88 16.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -124.85 170.26 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.166 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.414 ' HA ' ' CE1' ' A' ' 74' ' ' HIS . 4.9 ptp85 -151.4 170.03 20.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.5 -172.47 48.12 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.473 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 130.4 171.68 12.97 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.533 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 -48.78 -28.11 3.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.75 0.31 . . . . 0.0 110.873 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -61.73 -38.51 88.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -108.32 13.11 25.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt 54.66 48.84 19.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.91 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.6 ptm -153.44 165.02 37.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.601 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 3.7 m-20 -70.19 171.34 9.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.8 mt -96.56 122.64 39.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.601 ' CE1' ' O ' ' A' ' 37' ' ' ASP . 0.5 OUTLIER -124.84 166.76 15.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.925 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.2 t -76.39 110.99 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.114 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.412 ' CD1' ' C ' ' A' ' 41' ' ' LEU . 1.9 tm? -67.69 -62.83 1.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.937 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.486 ' HG2' ' N ' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -146.51 147.97 31.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.486 ' N ' ' HG2' ' A' ' 42' ' ' ARG . 9.3 mt -109.39 147.81 32.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -84.98 116.95 23.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.072 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.418 ' HA ' ' CD1' ' A' ' 50' ' ' ILE . 12.0 pt-20 -61.52 -25.96 67.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -116.31 26.8 9.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -110.13 172.52 15.75 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.502 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -32.13 19.37 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.671 2.247 . . . . 0.0 112.374 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 52' ' ' ASN . . . -58.71 -69.23 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.418 ' CD1' ' HA ' ' A' ' 45' ' ' GLU . 5.5 tt -44.75 -22.97 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.132 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 66.7 mtp85 -85.56 -33.21 21.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.849 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 49' ' ' ALA . 0.3 OUTLIER -56.32 -59.94 4.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 -179.895 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.501 ' O ' ' N ' ' A' ' 55' ' ' MET . . . 100.2 -53.21 0.95 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.503 ' O ' ' CE1' ' A' ' 13' ' ' PHE . 22.2 mmt85 -35.99 -30.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.82 0.343 . . . . 0.0 110.874 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.501 ' N ' ' O ' ' A' ' 53' ' ' GLY . 5.6 ptm -124.92 147.02 49.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.412 ' HD3' ' C ' ' A' ' 55' ' ' MET . 1.2 mpp_? -138.78 -179.06 5.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 98.8 t -85.94 121.24 37.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.117 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 115.07 -10.65 20.46 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.516 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.461 ' CB ' HD22 ' A' ' 92' ' ' LEU . 0.9 OUTLIER -74.62 166.21 23.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.736 0.303 . . . . 0.0 110.874 -179.919 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.502 ' NE2' ' O ' ' A' ' 61' ' ' ILE . 2.4 tm0? -113.54 115.54 28.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.502 ' O ' ' NE2' ' A' ' 60' ' ' GLN . 6.5 mt -81.12 119.87 31.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.435 ' CG1' HD23 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -96.14 -28.1 3.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.873 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -134.07 155.08 50.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.457 HG13 ' CG2' ' A' ' 69' ' ' THR . 30.3 mt -143.24 119.2 4.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.159 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.489 ' ND2' ' O ' ' A' ' 80' ' ' LEU . 29.8 m-20 54.07 30.34 11.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.1 32.94 57.89 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.481 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -132.59 127.78 35.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.953 0.406 . . . . 0.0 110.84 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.4 m -51.1 126.65 17.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.846 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.457 ' CG2' HG13 ' A' ' 64' ' ' ILE . 18.4 p -101.58 50.0 0.86 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.119 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.8 ttt-85 -104.1 -39.59 6.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -116.21 47.91 1.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 5.3 mtm -128.32 148.37 50.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 46.0 p -101.24 152.41 20.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.414 ' CE1' ' HA ' ' A' ' 29' ' ' ARG . 18.5 t-160 -39.82 -37.61 0.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.94 -47.73 83.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.079 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.426 ' NH1' ' OE2' ' A' ' 79' ' ' GLU . 6.7 tpt180 -52.65 -64.6 0.77 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.836 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -46.78 -37.61 8.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 10.4 mm -64.81 -31.52 54.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.145 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.426 ' OE2' ' NH1' ' A' ' 76' ' ' ARG . 2.0 pt-20 -87.78 -23.43 24.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.489 ' O ' ' ND2' ' A' ' 65' ' ' ASN . 51.5 mt -69.11 -42.02 76.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.901 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.417 HG21 ' CD1' ' A' ' 24' ' ' PHE . 21.7 mt -61.01 -32.46 52.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.078 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -97.57 -16.92 19.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 28.8 t -71.86 -36.86 70.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -68.45 -48.53 50.66 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.475 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 143.0 -129.35 3.74 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.473 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.466 ' O ' ' N ' ' A' ' 19' ' ' LYS . 38.7 mtt180 -94.52 -15.72 23.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.85 0.357 . . . . 0.0 110.895 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 32.6 mtt180 -113.36 124.14 51.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.611 ' CG1' ' CE2' ' A' ' 24' ' ' PHE . 11.6 p -122.42 147.06 26.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.099 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 32.7 ttt180 -141.23 111.85 7.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.413 ' CD2' HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -125.66 147.93 49.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.474 HD22 ' N ' ' A' ' 92' ' ' LEU . 2.4 tt -85.66 120.77 27.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.474 ' N ' HD22 ' A' ' 91' ' ' LEU . 7.0 tp -130.41 156.65 44.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 18.9 pttm -141.8 128.99 20.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.94 141.35 30.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.448 ' HA2' ' CE2' ' A' ' 10' ' ' PHE . . . -80.52 65.66 3.83 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.497 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.7 t -104.83 -15.27 15.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.784 0.326 . . . . 0.0 111.117 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 72.82 -76.46 0.84 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.505 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 36.7 p -118.13 -179.53 3.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.925 0.393 . . . . 0.0 110.868 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -58.23 -80.38 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.43 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 114.07 3.59 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.685 2.256 . . . . 0.0 112.327 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.4 m -118.26 152.32 35.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.815 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.4 t 56.93 45.86 20.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.818 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.48 -179.987 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.9 p -142.61 153.61 43.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.899 0.381 . . . . 0.0 110.859 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.8 m -73.65 148.22 43.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.06 -51.59 4.29 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.504 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.4 t -47.7 137.4 9.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.88 0.372 . . . . 0.0 110.857 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.7 p 42.64 38.47 1.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.35 58.22 0.63 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.497 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -120.64 -49.57 2.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.793 0.33 . . . . 0.0 110.936 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.424 ' HB2' ' CZ ' ' A' ' 12' ' ' TYR . 1.0 OUTLIER -83.65 -177.35 6.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 179.933 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -55.12 -178.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -58.82 119.69 7.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.424 ' CZ ' ' HB2' ' A' ' 9' ' ' ASP . 8.5 m-85 -90.37 85.6 6.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.609 ' CE2' ' O ' ' A' ' 92' ' ' LEU . 6.1 p90 -109.13 146.89 33.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.877 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 37.9 p -93.27 156.49 16.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.116 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.408 HG13 ' N ' ' A' ' 16' ' ' ASP . 63.2 t -113.11 140.71 31.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.408 ' N ' HG13 ' A' ' 15' ' ' VAL . 9.1 t70 -135.22 117.91 16.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.2 mtm -151.24 171.16 17.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -123.45 175.23 6.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.9 160.18 32.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.916 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -131.19 -158.88 9.34 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.479 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -52.17 -56.42 14.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.843 0.354 . . . . 0.0 111.066 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.1 mtmm -112.47 28.3 8.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 115.12 -169.86 13.03 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.434 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.555 ' CE1' HG11 ' A' ' 88' ' ' VAL . 88.3 m-85 -58.87 -20.7 53.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.937 0.398 . . . . 0.0 110.905 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.82 39.99 27.25 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.472 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.649 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -153.11 136.23 15.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.871 0.367 . . . . 0.0 110.889 -179.829 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 27.2 t -110.55 172.22 6.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -136.2 170.31 18.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.488 ' HA ' ' CE1' ' A' ' 74' ' ' HIS . 3.1 ptp85 -149.14 169.7 20.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.99 -163.51 54.61 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.452 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 127.87 -179.99 16.17 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.508 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.426 ' NE ' ' HA ' ' A' ' 32' ' ' ARG . 3.9 mmp_? -60.67 -16.87 43.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.785 0.326 . . . . 0.0 110.86 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -71.62 -34.27 69.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -111.85 11.81 20.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.951 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm 55.95 49.68 15.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.878 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.3 ptm -152.49 163.18 40.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.523 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 17.9 m-20 -68.09 170.68 8.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.5 mt -95.24 117.29 30.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.555 ' CE2' ' HG2' ' A' ' 60' ' ' GLN . 1.7 m-85 -117.79 164.84 14.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 27.1 t -78.89 116.76 23.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.121 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -69.13 -55.64 10.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.477 ' HG2' ' N ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -158.5 150.42 21.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.477 ' N ' ' HG2' ' A' ' 42' ' ' ARG . 10.2 mt -104.1 151.28 23.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -86.99 112.97 22.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.099 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.412 ' HA ' ' CD1' ' A' ' 50' ' ' ILE . 11.5 pt-20 -58.43 -19.99 41.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -118.83 10.23 12.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.843 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -93.75 164.22 26.36 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.54 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -16.78 37.6 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.673 2.248 . . . . 0.0 112.339 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.86 -57.96 3.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.079 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.412 ' CD1' ' HA ' ' A' ' 45' ' ' GLU . 6.8 tt -54.7 -17.1 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -91.59 -21.17 20.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.847 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.415 ' ND2' ' H ' ' A' ' 55' ' ' MET . 0.5 OUTLIER -64.94 -55.65 17.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 96.64 -53.46 1.48 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.524 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.601 ' O ' ' CZ ' ' A' ' 13' ' ' PHE . 2.5 mmp_? -41.38 -29.72 0.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.835 0.35 . . . . 0.0 110.852 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.463 ' SD ' ' C ' ' A' ' 55' ' ' MET . 0.0 OUTLIER -128.1 139.81 52.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.445 ' HA ' ' CD1' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -135.13 176.68 8.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -86.74 120.88 36.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.122 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 118.17 8.11 10.74 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.515 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.46 ' CB ' HD23 ' A' ' 92' ' ' LEU . 0.7 OUTLIER -97.54 -175.28 3.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.757 0.313 . . . . 0.0 110.884 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.555 ' HG2' ' CE2' ' A' ' 39' ' ' TYR . 1.3 tm0? -122.61 123.07 40.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.916 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.5 ' O ' ' NE2' ' A' ' 60' ' ' GLN . 9.9 mt -93.95 121.45 44.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.465 ' N ' HD11 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -102.86 -19.91 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.122 179.857 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.45 ' HG2' ' N ' ' A' ' 64' ' ' ILE . 27.4 tt0 -138.2 153.65 49.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.45 ' N ' ' HG2' ' A' ' 63' ' ' GLU . 85.0 mt -145.9 123.46 4.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.126 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' A' ' 80' ' ' LEU . 27.6 m-20 45.17 52.2 8.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 55.08 40.85 75.77 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.485 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -143.19 124.27 14.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.815 0.341 . . . . 0.0 110.9 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 60.0 p -56.22 132.05 49.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.6 p -107.97 55.62 0.64 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.137 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 20.4 ptp180 -102.62 -40.6 6.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.6 p-10 -118.03 48.25 1.43 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.838 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 6.7 mtm -124.31 153.77 41.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 75' ' ' ALA . 22.3 p -103.24 145.9 29.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.167 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.488 ' CE1' ' HA ' ' A' ' 29' ' ' ARG . 13.2 t-160 -34.25 -33.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.823 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 73' ' ' THR . . . -64.54 -53.78 42.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.111 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.431 ' CZ ' HD23 ' A' ' 80' ' ' LEU . 9.0 tpt180 -47.36 -53.56 13.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.834 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -53.26 -48.21 68.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.088 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 3.2 mm -62.15 -17.99 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -93.96 -33.29 13.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.485 ' O ' ' ND2' ' A' ' 65' ' ' ASN . 28.7 mt -66.85 -38.39 86.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.927 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 22.6 mt -61.0 -32.3 52.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -97.16 -12.86 22.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 30.3 t -80.89 -31.54 35.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -72.74 -33.39 60.44 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.486 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 124.32 -128.86 6.95 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.485 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.448 ' O ' ' CE1' ' A' ' 24' ' ' PHE . 9.3 mtt-85 -95.71 -18.45 20.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.837 0.351 . . . . 0.0 110.929 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 28.6 mtt180 -109.55 122.88 48.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.555 HG11 ' CE1' ' A' ' 24' ' ' PHE . 12.5 p -124.7 134.78 65.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.157 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -128.48 121.05 28.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.489 ' CD2' HG23 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -133.33 147.29 51.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.963 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.408 HD23 ' N ' ' A' ' 92' ' ' LEU . 1.3 tt -84.29 110.48 18.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.609 ' O ' ' CE2' ' A' ' 13' ' ' PHE . 7.9 tp -122.77 141.01 52.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.449 ' NZ ' ' OE1' ' A' ' 60' ' ' GLN . 13.1 pttm -126.54 129.24 48.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 7.2 tpp85 -88.08 145.24 26.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -90.8 53.24 3.33 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.473 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 12.5 t -88.65 -4.91 58.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.878 0.37 . . . . 0.0 111.112 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -129.15 132.45 7.16 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.467 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.4 m -89.55 37.29 0.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.913 0.387 . . . . 0.0 110.853 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 141.04 136.23 3.28 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.523 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -91.46 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.713 2.275 . . . . 0.0 112.314 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 79.8 p -113.38 87.53 2.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 103' ' ' GLY . 9.1 t -133.91 146.55 50.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.862 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 102' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.492 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.4 m 40.61 42.36 1.34 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.864 0.364 . . . . 0.0 110.824 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.9 t -108.98 157.98 18.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.96 92.21 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.44 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 p -157.47 129.58 7.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.859 0.361 . . . . 0.0 110.877 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.9 t -58.57 116.96 4.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.96 84.1 0.11 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.52 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -124.51 34.69 4.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.833 0.349 . . . . 0.0 110.885 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.69 126.26 34.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -52.96 -61.95 1.96 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -165.3 121.95 1.45 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.592 ' CE1' ' HD3' ' A' ' 93' ' ' LYS . 4.9 m-85 -90.17 84.26 6.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.938 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.608 ' CD1' ' O ' ' A' ' 92' ' ' LEU . 16.8 p90 -107.8 159.99 16.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.854 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 70.7 p -102.64 160.13 14.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.173 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 61.3 t -117.03 146.2 21.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.129 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -135.94 114.82 12.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.1 mtm -149.09 162.61 39.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -116.31 175.25 5.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.86 161.46 29.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.938 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -131.86 -149.91 6.47 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.528 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.68 -55.76 29.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.845 0.355 . . . . 0.0 111.088 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.0 mmtp -112.46 30.71 6.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 111.59 -168.71 12.88 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.465 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.566 ' CE1' HG12 ' A' ' 88' ' ' VAL . 89.9 m-85 -60.31 -17.39 42.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.876 0.369 . . . . 0.0 110.873 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.56 42.19 55.83 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.504 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.643 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -153.17 140.22 19.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.872 0.368 . . . . 0.0 110.865 -179.846 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.0 t -115.46 170.44 8.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -135.15 169.83 20.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.111 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -146.13 171.21 15.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 66.16 -172.56 25.75 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.446 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 138.61 175.08 13.75 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.505 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.443 ' NE ' ' HA ' ' A' ' 32' ' ' ARG . 2.3 mmp_? -56.67 -14.77 3.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.765 0.317 . . . . 0.0 110.876 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -75.57 -34.13 60.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -110.34 13.52 22.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.84 48.91 17.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.3 ptm -153.79 161.59 41.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.482 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . 2.1 m-20 -66.72 170.73 6.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.886 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.416 ' CD1' ' HB ' ' A' ' 69' ' ' THR . 10.6 mt -98.19 117.92 33.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.577 ' CE2' ' HG2' ' A' ' 60' ' ' GLN . 2.5 m-85 -117.29 168.43 10.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.963 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 38.7 t -81.67 109.38 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.164 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.439 ' CD1' ' C ' ' A' ' 41' ' ' LEU . 1.3 tm? -61.26 -59.42 5.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.943 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.482 ' HG2' ' N ' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -157.55 151.01 23.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.482 ' N ' ' HG2' ' A' ' 42' ' ' ARG . 12.2 mt -105.41 151.08 24.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.0 117.59 25.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -62.93 -19.42 64.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -118.57 22.0 12.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -109.41 168.57 13.33 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.469 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -26.17 27.76 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.729 2.286 . . . . 0.0 112.313 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.88 -64.8 0.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.11 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 7.0 tt -49.03 -23.99 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 67.5 mtp180 -82.48 -30.04 30.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -59.44 -60.4 3.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.517 ' O ' ' N ' ' A' ' 55' ' ' MET . . . 99.36 -53.7 1.01 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.494 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.455 ' O ' ' CZ ' ' A' ' 13' ' ' PHE . 60.2 mtt85 -34.32 -32.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.819 0.343 . . . . 0.0 110.872 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.517 ' N ' ' O ' ' A' ' 53' ' ' GLY . 9.9 ptm -128.77 144.46 51.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.408 ' NH1' ' HA2' ' A' ' 53' ' ' GLY . 0.6 OUTLIER -134.65 -174.27 3.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.459 HG13 ' N ' ' A' ' 58' ' ' GLY . 99.2 t -86.47 140.49 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.459 ' N ' HG13 ' A' ' 57' ' ' VAL . . . 96.1 -16.72 60.61 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.511 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.519 ' CB ' ' CD2' ' A' ' 92' ' ' LEU . 43.3 m-20 -63.12 -179.17 0.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.776 0.322 . . . . 0.0 110.859 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.577 ' HG2' ' CE2' ' A' ' 39' ' ' TYR . 2.1 tm0? -123.44 121.58 36.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.508 ' O ' ' NE2' ' A' ' 60' ' ' GLN . 7.9 mt -96.6 130.18 45.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.124 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.509 ' CD1' ' N ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -115.47 -14.74 10.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.136 179.838 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.463 ' CA ' HG23 ' A' ' 69' ' ' THR . 12.0 tt0 -139.54 151.19 45.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 62.9 mt -148.04 110.65 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.147 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 35.7 m-20 59.07 26.27 14.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.48 37.97 22.41 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.463 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -123.75 157.39 34.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.88 0.371 . . . . 0.0 110.869 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 70' ' ' ARG . 1.7 m -82.38 74.6 9.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.839 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.463 HG23 ' CA ' ' A' ' 63' ' ' GLU . 42.3 p -40.25 -28.54 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.16 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' A' ' 68' ' ' SER . 9.5 ptm180 -51.36 -43.87 61.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -105.99 51.91 0.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 4.2 mtm -146.21 145.3 30.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.2 p -91.45 158.11 16.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 18.6 t-160 -48.5 -32.68 8.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.75 -50.04 68.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.098 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.468 ' NE ' HD23 ' A' ' 80' ' ' LEU . 8.0 tpt180 -53.33 -61.84 2.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -46.03 -29.81 1.61 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.087 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.6 mm -77.01 -30.99 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.152 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 76' ' ' ARG . 3.3 pt-20 -84.94 -23.13 28.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.468 HD23 ' NE ' ' A' ' 76' ' ' ARG . 64.2 mt -71.4 -41.3 69.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 16.1 mt -59.86 -31.1 46.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 11.4 ptpt -97.16 -14.54 21.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 31.7 t -82.07 -31.88 30.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -70.19 -41.18 70.2 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.512 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 133.8 -128.09 4.84 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.471 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.514 ' O ' ' CE1' ' A' ' 24' ' ' PHE . 3.9 mtm-85 -97.87 -21.72 16.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.79 0.328 . . . . 0.0 110.886 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 53.3 mtm180 -109.5 122.8 48.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.566 HG12 ' CE1' ' A' ' 24' ' ' PHE . 10.4 p -123.78 143.81 35.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.148 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.402 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 21.9 ttm180 -135.95 115.25 12.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.476 ' CD2' HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -125.97 149.84 48.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.469 HD23 ' CG1' ' A' ' 62' ' ' ILE . 3.3 tt -86.94 112.73 22.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.933 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.608 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 11.9 tp -119.25 159.2 24.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.947 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.592 ' HD3' ' CE1' ' A' ' 12' ' ' TYR . 0.7 OUTLIER -103.77 128.58 51.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 179.825 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.435 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 7.0 tmm_? -101.47 121.93 42.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -92.78 79.33 1.13 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.476 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.6 t -75.78 -13.3 60.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.864 0.364 . . . . 0.0 111.196 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -121.03 107.6 1.26 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.502 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.0 m -94.44 39.96 1.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.869 0.366 . . . . 0.0 110.865 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 123.57 150.41 7.99 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.492 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -177.99 2.15 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.647 2.231 . . . . 0.0 112.356 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 22.3 t -68.71 -55.7 10.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.9 m -53.95 102.35 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.902 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.463 -179.967 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m 50.71 38.07 18.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.861 0.362 . . . . 0.0 110.836 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.5 p -68.16 -42.52 79.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.43 -146.04 4.48 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.524 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 6' ' ' SER . 92.7 p -99.44 42.85 1.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.861 0.363 . . . . 0.0 110.844 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 5' ' ' SER . 2.0 t -35.32 147.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.807 -179.816 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.09 132.14 10.93 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.503 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -105.23 115.44 30.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.771 0.319 . . . . 0.0 110.948 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -104.01 149.19 25.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.435 ' O ' ' CG ' ' A' ' 11' ' ' ASP . 2.1 m-85 -57.81 -60.49 3.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.435 ' CG ' ' O ' ' A' ' 10' ' ' PHE . 4.4 m-20 -174.97 115.03 0.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -69.65 83.16 0.43 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.965 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.619 ' CD2' ' O ' ' A' ' 92' ' ' LEU . 17.5 p90 -108.27 157.16 18.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 57.5 p -101.1 154.6 18.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.134 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.436 ' CG2' ' HB3' ' A' ' 55' ' ' MET . 69.0 t -109.0 143.39 19.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.152 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -136.18 106.18 6.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.2 mtm -141.95 179.79 6.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.541 ' C ' ' CD2' ' A' ' 24' ' ' PHE . 6.9 mt-10 -123.51 169.73 11.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.503 ' HE2' ' CE1' ' A' ' 24' ' ' PHE . 8.3 ttmm -73.9 157.25 36.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -132.72 -119.92 2.08 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.467 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.96 -57.01 2.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.836 0.351 . . . . 0.0 111.106 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.3 mmtt -103.14 31.2 4.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . 86.26 101.44 0.76 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.539 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.573 ' CE2' HG12 ' A' ' 88' ' ' VAL . 74.2 m-85 38.27 28.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.952 0.406 . . . . 0.0 110.925 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 23' ' ' GLY . . . 33.06 46.61 0.31 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.496 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.658 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -153.2 139.4 18.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.861 0.362 . . . . 0.0 110.894 -179.856 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.465 ' HB3' ' CD ' ' A' ' 42' ' ' ARG . 47.7 t -114.9 170.27 8.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.887 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -132.64 169.95 20.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.155 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.7 ptp180 -149.33 170.91 17.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 69.38 -163.67 51.15 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.472 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 127.25 163.22 11.38 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.458 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.417 ' NE ' ' HA ' ' A' ' 32' ' ' ARG . 4.0 mmp_? -43.93 -27.44 0.36 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.789 0.328 . . . . 0.0 110.879 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.463 ' CD ' ' O ' ' A' ' 33' ' ' GLU . 0.4 OUTLIER -60.19 -41.59 93.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.917 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.46 ' CD1' ' OE1' ' A' ' 33' ' ' GLU . 6.0 m-85 -104.87 15.94 26.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.959 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 45.1 mmtt 55.2 46.9 22.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.894 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.5 ptm -152.4 160.09 43.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.489 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 0.8 OUTLIER -65.92 170.8 5.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.4 mt -96.13 119.2 34.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.557 ' CE2' ' HG2' ' A' ' 60' ' ' GLN . 2.0 m-85 -115.9 167.26 11.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 20.4 t -85.4 100.97 9.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.131 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.414 ' C ' HD11 ' A' ' 41' ' ' LEU . 1.1 tm? -46.88 -61.33 1.91 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.944 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.465 ' CD ' ' HB3' ' A' ' 27' ' ' SER . 0.0 OUTLIER -156.52 166.11 34.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.457 ' CD1' ' HA ' ' A' ' 56' ' ' ARG . 10.7 mt -115.78 150.2 37.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.956 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -88.22 115.76 25.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.094 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.453 ' HA ' ' CD1' ' A' ' 50' ' ' ILE . 1.9 pp20? -55.63 -28.35 54.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.428 ' O ' ' CG ' ' A' ' 46' ' ' ASP . 26.2 t70 -114.13 27.66 9.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -109.45 169.87 14.05 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.487 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -25.79 28.14 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.685 2.256 . . . . 0.0 112.337 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 52' ' ' ASN . . . -66.45 -67.46 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.117 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.453 ' CD1' ' HA ' ' A' ' 45' ' ' GLU . 6.6 tt -46.45 -23.52 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.071 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 56.5 mtp180 -87.38 -29.65 21.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 49' ' ' ALA . 0.3 OUTLIER -60.57 -60.28 4.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.501 ' O ' ' N ' ' A' ' 55' ' ' MET . . . 100.63 -54.07 0.87 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.482 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.565 ' O ' ' CE1' ' A' ' 13' ' ' PHE . 57.3 mtt-85 -35.2 -31.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.792 0.329 . . . . 0.0 110.837 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.501 ' N ' ' O ' ' A' ' 53' ' ' GLY . 4.8 ptm -132.88 145.19 50.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.457 ' HA ' ' CD1' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -141.15 164.34 30.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.908 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -69.34 133.66 31.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.128 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 105.38 12.41 27.01 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.479 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.412 ' CB ' HD21 ' A' ' 92' ' ' LEU . 1.1 m-20 -102.56 179.94 4.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.756 0.312 . . . . 0.0 110.873 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.557 ' HG2' ' CE2' ' A' ' 39' ' ' TYR . 0.9 OUTLIER -122.22 119.88 32.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.452 ' O ' ' NE2' ' A' ' 60' ' ' GLN . 9.7 mt -93.88 123.99 46.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.136 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.431 ' CD1' ' N ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -101.1 -26.35 3.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 179.847 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -134.96 156.57 48.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 82.4 mt -146.74 130.12 9.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.135 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.492 ' ND2' ' O ' ' A' ' 80' ' ' LEU . 2.0 m-20 48.66 41.66 18.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 66.47 27.85 73.37 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -130.07 128.96 42.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.873 0.368 . . . . 0.0 110.877 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 t -60.12 126.44 27.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.5 p -93.16 49.32 1.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.097 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.6 ttt180 -97.4 -40.1 8.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -119.41 51.34 1.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 5.2 mtm -131.11 145.56 52.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.485 ' O ' ' N ' ' A' ' 75' ' ' ALA . 17.2 p -100.81 148.71 24.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.441 ' C ' ' O ' ' A' ' 73' ' ' THR . 15.4 t-160 -34.65 -33.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 73' ' ' THR . . . -64.68 -54.25 34.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 73' ' ' THR . 8.9 tpp180 -48.93 -52.14 26.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.55 -46.71 66.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.071 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 3.1 mm -63.7 -12.45 11.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.093 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 83' ' ' SER . 0.8 OUTLIER -95.43 -41.67 8.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.492 ' O ' ' ND2' ' A' ' 65' ' ' ASN . 61.4 mt -59.84 -37.7 79.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 23.4 mt -61.46 -34.21 60.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 5.1 ptpt -97.55 -17.71 19.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.956 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 79' ' ' GLU . 1.6 m -84.33 -13.47 52.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -86.39 -34.08 12.8 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.464 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 123.92 -141.23 13.35 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.492 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 19' ' ' LYS . 21.0 mtt180 -85.63 -21.31 28.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.781 0.324 . . . . 0.0 110.87 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -113.13 126.55 55.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.573 HG12 ' CE2' ' A' ' 24' ' ' PHE . 14.8 p -122.97 149.47 26.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 14.4 ttm180 -141.38 124.67 16.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.475 ' CD2' HG21 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -137.17 148.46 46.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.46 HD21 ' N ' ' A' ' 92' ' ' LEU . 2.6 tt -83.39 117.08 22.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.924 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.619 ' O ' ' CD2' ' A' ' 13' ' ' PHE . 7.7 tp -132.32 154.65 49.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 4.2 mtmt -121.51 129.62 53.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.466 ' HD3' ' N ' ' A' ' 95' ' ' GLY . 1.5 tmt_? -89.54 130.64 35.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.868 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.466 ' N ' ' HD3' ' A' ' 94' ' ' ARG . . . -76.33 50.15 2.74 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.476 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 10.0 t -88.74 -26.37 21.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.822 0.344 . . . . 0.0 111.14 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -94.73 41.18 2.58 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.478 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.9 p -121.32 132.72 54.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.949 0.404 . . . . 0.0 110.848 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 64.0 -133.18 40.09 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.454 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 136.59 33.36 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.707 2.272 . . . . 0.0 112.305 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 38.7 t -83.89 40.38 0.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.838 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 50.7 m -140.18 143.03 35.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.447 179.986 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -86.54 42.08 0.98 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.904 0.383 . . . . 0.0 110.843 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.4 p -44.81 153.68 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.836 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -164.64 61.19 0.25 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.51 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 4' ' ' GLY . 2.6 t 37.49 36.57 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.838 0.352 . . . . 0.0 110.854 -179.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.7 m -113.56 83.39 1.84 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.819 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.17 -102.54 2.58 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.511 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.422 ' HA ' ' CE2' ' A' ' 12' ' ' TYR . 1.3 pt20 -66.66 115.03 6.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.778 0.323 . . . . 0.0 110.922 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -68.42 -75.39 0.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.819 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.453 ' CE1' ' NZ ' ' A' ' 93' ' ' LYS . 19.6 p90 -175.47 139.41 0.44 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 59.55 54.97 4.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.422 ' CE2' ' HA ' ' A' ' 8' ' ' GLN . 2.9 m-30 -88.89 94.49 9.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.971 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.537 ' CD1' ' O ' ' A' ' 92' ' ' LEU . 50.8 p90 -108.24 168.64 9.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 57.4 p -105.48 158.38 16.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.159 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 58.8 t -118.41 142.5 32.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -135.55 113.09 10.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.5 mtm -149.59 174.19 12.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -119.3 175.11 5.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 86' ' ' ARG . 21.2 ttmt -85.19 163.17 18.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -118.96 -123.19 3.17 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.5 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.25 -55.02 4.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.848 0.356 . . . . 0.0 111.101 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.29 -3.07 15.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.94 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 163.82 -162.04 34.76 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.492 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.626 ' CE2' ' CG1' ' A' ' 88' ' ' VAL . 50.3 m-85 -82.92 37.29 0.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.901 0.382 . . . . 0.0 110.916 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 24' ' ' PHE . . . 35.36 39.46 0.22 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.505 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.651 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -152.7 138.94 18.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.853 0.359 . . . . 0.0 110.864 -179.832 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.0 t -113.17 172.13 7.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -135.61 170.62 18.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.096 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.3 ptt180 -150.9 169.21 22.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.21 -171.3 55.12 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.496 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 131.65 172.72 13.15 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.456 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.403 ' HG3' ' C ' ' A' ' 71' ' ' ASP . 7.6 mmm180 -53.8 -22.4 9.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.756 0.312 . . . . 0.0 110.869 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -65.42 -35.68 81.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -109.37 3.76 21.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.938 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm 63.7 44.57 4.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.885 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.1 ptm -148.04 162.89 38.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.6 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 2.2 m-20 -67.26 171.02 6.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.0 mt -95.68 119.79 34.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.941 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.6 ' CE1' ' O ' ' A' ' 37' ' ' ASP . 0.5 OUTLIER -121.92 166.22 14.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.936 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 26.2 t -81.21 108.43 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.123 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.424 ' CD1' ' C ' ' A' ' 41' ' ' LEU . 0.7 OUTLIER -57.74 -58.04 10.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.494 ' HG2' ' N ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -159.44 149.98 19.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.494 ' N ' ' HG2' ' A' ' 42' ' ' ARG . 11.7 mt -103.0 151.24 22.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.956 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -86.36 117.81 25.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -59.56 -19.58 49.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -121.58 26.65 8.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -107.11 166.19 13.36 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.457 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -24.08 29.97 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.681 2.254 . . . . 0.0 112.359 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.59 -60.36 2.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.124 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.1 tt -52.1 -18.65 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 63.2 mtp85 -87.31 -25.58 23.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -64.57 -59.58 4.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.498 ' O ' ' CD ' ' A' ' 56' ' ' ARG . . . 102.69 -54.81 0.71 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.51 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.433 ' O ' ' CE2' ' A' ' 13' ' ' PHE . 54.1 mtt-85 -37.86 -34.56 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.821 0.343 . . . . 0.0 110.877 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 3.6 ptm -121.91 137.97 54.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.498 ' CD ' ' O ' ' A' ' 53' ' ' GLY . 0.5 OUTLIER -132.2 176.4 8.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.843 -179.904 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -85.77 123.47 39.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.148 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 117.37 -0.99 18.75 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.453 ' HB2' ' CD2' ' A' ' 92' ' ' LEU . 1.2 m-20 -88.68 170.26 10.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.78 0.324 . . . . 0.0 110.903 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.495 ' NE2' ' O ' ' A' ' 61' ' ' ILE . 9.2 tm0? -112.25 120.9 43.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.527 ' CG1' ' CD1' ' A' ' 92' ' ' LEU . 19.5 mt -89.72 129.83 40.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.406 HD13 ' N ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -112.81 -14.51 10.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.144 179.855 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.447 ' HB3' ' CB ' ' A' ' 91' ' ' LEU . 29.8 tt0 -140.34 158.22 44.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.467 HG13 ' CG2' ' A' ' 69' ' ' THR . 85.7 mt -146.21 134.3 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.134 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.502 ' ND2' ' O ' ' A' ' 80' ' ' LEU . 31.2 m-20 44.59 27.0 0.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.97 31.4 35.36 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 64' ' ' ILE . 3.2 pt-20 -131.1 141.3 50.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.831 0.348 . . . . 0.0 110.934 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.4 m -71.18 102.23 2.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.834 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.467 ' CG2' HG13 ' A' ' 64' ' ' ILE . 24.2 p -66.19 73.54 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.13 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 52.8 ttt180 -111.56 131.39 55.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.403 ' C ' ' HG3' ' A' ' 32' ' ' ARG . 12.4 m-20 52.97 46.36 26.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 5.6 mtm -115.46 143.8 44.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 75' ' ' ALA . 81.9 p -92.37 147.5 22.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.172 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 18.8 t-160 -38.66 -27.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.864 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 73' ' ' THR . . . -69.38 -52.57 25.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -47.24 -51.73 17.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.06 -45.76 75.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 3.1 mm -64.6 -12.92 13.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -91.92 -42.06 10.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.502 ' O ' ' ND2' ' A' ' 65' ' ' ASN . 75.7 mt -62.67 -40.77 98.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.942 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 23.8 mt -55.85 -34.37 37.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -97.62 -16.59 19.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 179.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.3 t -77.36 -32.13 54.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -68.76 -40.77 85.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.496 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 127.71 -142.97 13.98 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.474 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.495 ' O ' ' N ' ' A' ' 19' ' ' LYS . 47.4 mtt180 -79.02 -18.78 52.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.853 0.358 . . . . 0.0 110.862 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 -115.08 128.03 55.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.626 ' CG1' ' CE2' ' A' ' 24' ' ' PHE . 13.7 p -124.28 146.93 29.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.466 ' O ' ' N ' ' A' ' 65' ' ' ASN . 12.5 ttm180 -141.29 121.89 14.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.484 ' CD2' HG21 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -134.1 148.34 50.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.447 ' CB ' ' HB3' ' A' ' 63' ' ' GLU . 4.0 tt -84.97 107.03 16.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.537 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 8.0 tp -114.74 152.1 32.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.453 ' NZ ' ' CE1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -134.5 129.52 35.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 179.876 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 32.3 tpt180 -109.69 124.96 52.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -80.07 52.46 4.26 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.485 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.4 t -83.1 -44.58 14.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.837 0.351 . . . . 0.0 111.117 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -110.33 -108.58 3.12 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.493 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.7 t 51.74 28.87 5.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.907 0.384 . . . . 0.0 110.868 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 112.85 157.0 12.72 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.506 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 0.09 6.13 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.642 2.228 . . . . 0.0 112.352 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.4 t -44.72 -49.35 10.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.2 t -48.35 119.0 2.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.503 -179.996 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 3' ' ' SER . 5.0 m -109.95 167.88 9.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.909 0.385 . . . . 0.0 110.86 -179.753 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 2' ' ' SER . 16.5 t -36.28 -42.91 0.34 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.839 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.51 76.21 1.11 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.493 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.5 t -50.2 -53.69 26.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.827 0.346 . . . . 0.0 110.847 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.2 m -70.54 123.73 22.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.23 -114.12 0.23 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.491 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -125.16 34.56 4.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.789 0.328 . . . . 0.0 110.886 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -110.16 106.95 16.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -54.47 -57.45 11.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.912 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -168.23 119.63 0.82 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -78.71 83.03 4.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.608 ' CD1' ' O ' ' A' ' 92' ' ' LEU . 19.7 p90 -107.74 159.58 16.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 41.3 p -99.37 158.74 15.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.12 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.449 HG11 ' N ' ' A' ' 16' ' ' ASP . 97.8 t -118.7 142.26 34.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.449 ' N ' HG11 ' A' ' 15' ' ' VAL . 9.3 t0 -135.52 119.4 17.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.83 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.2 mtm -153.54 170.54 20.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.824 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -115.18 173.96 6.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.513 ' N ' ' O ' ' A' ' 86' ' ' ARG . 6.9 ttpp -101.6 137.39 39.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.923 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.15 -119.21 3.31 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.511 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.6 -57.03 2.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.846 0.355 . . . . 0.0 111.08 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.0 mtmm -94.99 30.36 2.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.485 ' HA2' ' CG ' ' A' ' 19' ' ' LYS . . . 106.39 -158.65 15.33 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.514 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.569 ' CE2' HG11 ' A' ' 88' ' ' VAL . 57.4 m-85 -81.92 26.08 0.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.9 0.381 . . . . 0.0 110.891 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 41.06 42.31 2.98 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.505 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.662 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -153.29 132.34 12.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.352 . . . . 0.0 110.878 -179.841 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.9 t -110.28 165.86 11.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.468 ' CD1' ' HB2' ' A' ' 77' ' ' ALA . 0.5 OUTLIER -128.66 170.1 18.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.434 ' HA ' ' CE1' ' A' ' 74' ' ' HIS . 7.5 ptp85 -147.69 167.95 23.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.81 -169.09 54.94 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.476 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 131.35 164.57 11.21 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.468 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.0 mmm180 -48.2 -24.39 1.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.803 0.335 . . . . 0.0 110.855 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -65.98 -37.48 86.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -107.23 13.97 26.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm 53.9 50.43 16.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.913 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.4 ptm -154.94 162.84 40.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.81 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.59 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 0.2 OUTLIER -70.88 169.44 14.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 179.931 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.6 mt -93.19 120.7 33.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.59 ' CE1' ' O ' ' A' ' 37' ' ' ASP . 1.2 m-85 -124.34 166.97 15.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 48.2 t -79.83 113.66 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.108 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -67.01 -55.81 12.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.479 ' HG2' ' N ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -158.37 150.35 21.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.479 ' N ' ' HG2' ' A' ' 42' ' ' ARG . 11.5 mt -104.07 150.99 23.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -88.72 115.55 26.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.411 ' HA ' ' CD1' ' A' ' 50' ' ' ILE . 5.1 pt-20 -59.32 -24.35 63.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -119.17 32.86 5.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -117.21 169.77 13.24 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -22.26 32.56 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.661 2.241 . . . . 0.0 112.328 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.401 ' CB ' ' HB3' ' A' ' 26' ' ' PHE . . . -68.99 -66.11 0.62 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.058 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.411 ' CD1' ' HA ' ' A' ' 45' ' ' GLU . 6.4 tt -48.83 -23.93 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.119 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 47.6 mtp180 -81.9 -29.62 32.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -59.99 -55.2 36.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 55' ' ' MET . . . 93.2 -52.6 2.48 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.503 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.454 ' O ' ' CE2' ' A' ' 13' ' ' PHE . 21.2 mmt180 -38.93 -28.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.805 0.336 . . . . 0.0 110.836 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.454 ' N ' ' O ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -127.81 142.09 51.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -140.13 -175.73 4.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.9 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.437 HG11 ' N ' ' A' ' 58' ' ' GLY . 57.9 t -83.64 140.35 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.061 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.437 ' N ' HG11 ' A' ' 57' ' ' VAL . . . 97.36 14.53 41.21 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.44 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.441 ' CB ' HD23 ' A' ' 92' ' ' LEU . 14.8 m-20 -103.62 173.29 6.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.757 0.313 . . . . 0.0 110.871 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.501 ' NE2' ' O ' ' A' ' 61' ' ' ILE . 7.3 tm0? -122.86 119.88 31.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.948 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.501 ' O ' ' NE2' ' A' ' 60' ' ' GLN . 8.7 mt -87.16 125.28 40.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.478 ' CD1' ' N ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -102.02 -38.37 5.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.177 179.848 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.418 ' HG3' ' C ' ' A' ' 67' ' ' GLU . 24.8 tt0 -124.65 157.21 36.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.467 ' O ' ' N ' ' A' ' 67' ' ' GLU . 93.7 mt -137.07 134.92 47.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.133 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 80' ' ' LEU . 29.0 m-20 41.07 25.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 64' ' ' ILE . . . 83.63 35.44 16.61 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.502 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.479 ' CD ' ' CD1' ' A' ' 80' ' ' LEU . 3.3 pt-20 -141.69 127.0 18.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.86 0.362 . . . . 0.0 110.879 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.4 m -47.36 142.65 3.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.452 ' CG2' HG13 ' A' ' 64' ' ' ILE . 7.5 p -120.83 52.23 1.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.153 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? -88.73 -65.42 1.02 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -96.5 63.48 2.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.9 mtm -131.72 155.09 48.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 75' ' ' ALA . 45.1 p -108.57 147.87 31.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.147 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.434 ' CE1' ' HA ' ' A' ' 29' ' ' ARG . 13.7 t-160 -36.17 -31.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 73' ' ' THR . . . -67.18 -49.26 65.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 73' ' ' THR . 5.8 tpt180 -51.16 -52.15 46.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.921 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.468 ' HB2' ' CD1' ' A' ' 28' ' ' ILE . . . -54.14 -50.11 67.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 3.0 mm -59.41 -15.9 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.15 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 83' ' ' SER . 0.6 OUTLIER -90.77 -42.63 10.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.479 ' CD1' ' CD ' ' A' ' 67' ' ' GLU . 78.2 mt -60.62 -38.44 84.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 25.1 mt -61.16 -33.38 55.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.161 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -97.83 -18.69 18.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 79' ' ' GLU . 33.9 t -74.74 -34.13 62.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -69.72 -41.39 74.5 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.484 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 127.73 -138.88 10.73 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.542 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.513 ' O ' ' N ' ' A' ' 19' ' ' LYS . 28.0 mtt180 -82.86 -23.42 33.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.852 0.358 . . . . 0.0 110.914 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 46.7 mtp180 -109.74 123.09 48.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.569 HG11 ' CE2' ' A' ' 24' ' ' PHE . 12.9 p -123.6 148.73 27.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.426 ' O ' ' N ' ' A' ' 65' ' ' ASN . 14.1 ttm180 -140.91 113.74 8.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.849 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.476 ' CD2' HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -127.77 148.16 50.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.912 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.467 HD23 ' CG1' ' A' ' 62' ' ' ILE . 2.7 tt -85.41 112.01 20.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.608 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 8.9 tp -121.19 157.32 30.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.471 ' CD ' HD11 ' A' ' 62' ' ' ILE . 5.7 mtpt -118.25 129.06 55.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -108.74 141.62 40.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -82.53 31.31 2.99 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.515 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.2 t -69.49 -40.14 77.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.872 0.368 . . . . 0.0 111.111 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -50.06 -74.13 0.3 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.475 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 71.5 m -94.01 96.0 9.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.97 0.414 . . . . 0.0 110.866 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -100.38 99.99 2.1 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.453 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 179.77 3.47 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.7 2.267 . . . . 0.0 112.317 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 32.7 m 63.77 41.01 7.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 73.4 m -135.87 136.77 40.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.841 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.522 -179.983 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.1 p -118.7 42.16 2.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.857 0.36 . . . . 0.0 110.852 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.6 t -123.58 86.97 2.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.47 104.75 3.19 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.482 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -37.71 111.79 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.876 0.369 . . . . 0.0 110.869 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.8 p -110.46 43.23 1.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.06 121.34 0.73 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.506 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -98.44 118.06 34.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.762 0.315 . . . . 0.0 110.939 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -159.22 135.56 9.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.471 ' CE2' ' NZ ' ' A' ' 93' ' ' LYS . 6.9 m-85 -75.97 -53.1 8.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -164.09 106.22 0.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -72.86 79.43 1.15 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.608 ' CD2' ' O ' ' A' ' 92' ' ' LEU . 26.6 p90 -108.01 152.16 24.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 76.5 p -97.0 164.29 12.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.125 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.3 t -123.85 146.13 29.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -135.75 117.44 14.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.7 mtm -149.42 176.98 10.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.501 ' C ' ' CD2' ' A' ' 24' ' ' PHE . 3.7 mt-10 -121.43 169.56 10.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.526 ' HE2' ' CE1' ' A' ' 24' ' ' PHE . 7.3 ttmm -74.99 155.7 37.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.942 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -130.82 -122.77 2.43 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.492 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.85 -51.68 4.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.87 0.366 . . . . 0.0 111.148 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -105.85 29.22 6.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.492 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . 85.43 101.41 0.69 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.537 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.581 ' CE2' HG13 ' A' ' 88' ' ' VAL . 77.8 m-85 38.92 25.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.874 0.368 . . . . 0.0 110.857 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 23' ' ' GLY . . . 35.37 46.15 0.73 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.506 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.656 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -153.28 143.63 22.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.825 0.345 . . . . 0.0 110.91 -179.889 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.7 t -122.18 162.44 21.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.463 ' CD1' ' HB3' ' A' ' 77' ' ' ALA . 0.5 OUTLIER -122.8 169.72 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.154 179.943 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.478 ' HA ' ' CE1' ' A' ' 74' ' ' HIS . 3.6 ptp180 -147.6 160.16 42.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 82.97 -161.88 40.25 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.424 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 124.7 179.17 15.62 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.514 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -58.74 -20.92 53.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.797 0.332 . . . . 0.0 110.862 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -67.84 -34.85 77.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -111.71 11.25 21.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 56.42 49.12 15.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.91 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.6 ptm -153.46 159.99 42.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.457 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 62.9 m-20 -65.38 169.7 5.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.2 mt -94.35 116.67 29.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.457 ' CE1' ' O ' ' A' ' 37' ' ' ASP . 2.9 m-85 -113.62 165.18 12.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.8 t -81.19 95.94 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.45 ' CD1' ' C ' ' A' ' 41' ' ' LEU . 2.0 tm? -45.49 -62.62 1.2 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.955 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.466 ' HD2' ' N ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -153.83 175.68 13.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 179.892 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.466 ' N ' ' HD2' ' A' ' 42' ' ' ARG . 12.8 mt -127.34 150.51 49.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.01 120.6 28.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.049 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -59.64 -26.54 65.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -116.39 31.33 6.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.843 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -112.66 169.06 12.83 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.478 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -25.9 28.15 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.695 2.263 . . . . 0.0 112.375 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 52' ' ' ASN . . . -65.93 -67.05 0.47 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 6.6 tt -46.13 -23.08 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.162 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -85.83 -31.29 22.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 49' ' ' ALA . 0.3 OUTLIER -58.98 -60.49 3.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.502 ' O ' ' N ' ' A' ' 55' ' ' MET . . . 100.61 -54.03 0.88 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.433 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.467 ' C ' ' O ' ' A' ' 53' ' ' GLY . 10.2 mmp_? -32.17 -36.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.784 0.326 . . . . 0.0 110.809 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.502 ' N ' ' O ' ' A' ' 53' ' ' GLY . 6.1 ptm -123.35 144.41 49.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.408 ' CD ' ' O ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -138.13 -178.98 5.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 -179.891 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 92.9 t -79.91 130.99 35.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.135 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 100.45 30.66 6.13 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.454 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.448 ' CB ' ' CD2' ' A' ' 92' ' ' LEU . 4.5 m-20 -115.62 173.62 6.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.729 0.3 . . . . 0.0 110.851 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.487 ' NE2' ' O ' ' A' ' 61' ' ' ILE . 1.1 tm0? -121.56 117.29 26.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.487 ' O ' ' NE2' ' A' ' 60' ' ' GLN . 13.8 mt -86.97 120.51 36.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.423 ' CD1' ' N ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -98.32 -30.49 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.1 179.88 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -129.74 148.42 51.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.457 HG13 ' CG2' ' A' ' 69' ' ' THR . 57.8 mt -139.84 109.16 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.155 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 80' ' ' LEU . 30.0 m-20 55.8 43.7 27.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 63.76 40.51 98.56 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.512 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -137.9 128.25 26.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.805 0.336 . . . . 0.0 110.939 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.3 m -56.69 126.06 25.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.457 ' CG2' HG13 ' A' ' 64' ' ' ILE . 16.0 p -106.14 47.17 0.89 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.116 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -104.68 -38.11 6.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -121.33 46.1 2.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 9.5 mtm -122.23 152.75 39.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.456 ' O ' ' C ' ' A' ' 74' ' ' HIS . 25.3 p -98.95 143.73 28.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.478 ' CE1' ' HA ' ' A' ' 29' ' ' ARG . 11.3 t-160 -33.89 -36.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 73' ' ' THR . . . -63.99 -52.56 59.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.083 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 73' ' ' THR . 10.5 tpt180 -48.44 -48.51 37.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.463 ' HB3' ' CD1' ' A' ' 28' ' ' ILE . . . -56.88 -48.84 77.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 3.4 mm -61.56 -13.05 7.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.155 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -92.02 -41.07 10.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.497 ' O ' ' ND2' ' A' ' 65' ' ' ASN . 82.5 mt -63.83 -40.69 97.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 39.9 mt -54.71 -35.42 32.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.104 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -97.99 -14.73 20.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.0 t -73.92 -33.62 64.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.812 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -69.59 -36.63 76.67 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.514 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 129.7 -131.66 6.75 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.504 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 19' ' ' LYS . 24.8 mtt180 -91.16 -17.49 26.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.806 0.336 . . . . 0.0 110.877 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 34.2 mtm180 -116.89 124.94 50.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.581 HG13 ' CE2' ' A' ' 24' ' ' PHE . 12.1 p -119.92 144.58 28.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 30.8 ttt180 -135.06 111.75 10.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.473 ' CD2' HG21 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -123.99 148.51 46.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.473 HD21 ' N ' ' A' ' 92' ' ' LEU . 3.4 tt -86.8 116.97 25.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.608 ' O ' ' CD2' ' A' ' 13' ' ' PHE . 7.0 tp -126.23 152.03 46.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.471 ' NZ ' ' CE2' ' A' ' 10' ' ' PHE . 11.8 pttp -132.91 129.31 38.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 10.4 tpp180 -107.83 149.04 28.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.837 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.497 ' O ' ' N ' ' A' ' 97' ' ' GLY . . . -75.63 -45.4 17.84 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.534 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 10.5 t 39.42 24.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.815 0.34 . . . . 0.0 111.152 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 95' ' ' GLY . . . -59.15 92.92 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.461 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.5 t -38.25 153.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.972 0.415 . . . . 0.0 110.825 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -163.81 147.5 13.07 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.493 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 4.75 2.02 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.703 2.268 . . . . 0.0 112.331 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 94.7 p -84.87 33.52 0.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 39.1 t -50.64 -48.04 58.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.857 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.46 -179.949 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.9 m -121.79 109.86 15.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.857 0.36 . . . . 0.0 110.878 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.1 p -116.39 42.88 2.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.56 168.59 7.65 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 6' ' ' SER . 6.3 m -38.55 127.87 1.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.9 0.381 . . . . 0.0 110.875 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 5' ' ' SER . 40.3 t -37.89 142.66 0.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.854 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.27 136.62 12.82 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.481 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -73.26 96.72 2.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.807 0.337 . . . . 0.0 110.874 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -149.69 134.03 17.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.585 ' CD1' ' N ' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -97.18 179.85 4.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.871 -179.903 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -43.44 108.32 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.831 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -75.4 82.16 2.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.577 ' CE1' ' O ' ' A' ' 54' ' ' ARG . 11.8 p90 -107.39 150.1 27.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.858 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -91.18 165.58 13.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.158 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.459 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 37.6 t -136.07 138.1 47.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.143 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -136.25 121.18 18.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.404 ' SD ' ' HA ' ' A' ' 49' ' ' ALA . 3.7 mtm -148.3 167.58 24.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.517 ' O ' ' CD2' ' A' ' 24' ' ' PHE . 4.2 mt-10 -106.93 173.31 6.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.822 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.0 ttmt -84.63 163.59 19.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -121.14 -124.33 3.08 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.12 -56.73 3.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.897 0.38 . . . . 0.0 111.128 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.5 tppt? -115.94 24.98 11.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 135.22 -165.32 24.71 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.5 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.624 ' CE2' ' CG1' ' A' ' 88' ' ' VAL . 57.7 m-85 -84.96 34.29 0.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.883 0.373 . . . . 0.0 110.854 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 40.19 39.08 1.46 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.474 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.65 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -153.02 143.44 22.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.871 0.367 . . . . 0.0 110.903 -179.883 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.433 ' HB3' ' CD ' ' A' ' 42' ' ' ARG . 38.0 t -118.99 172.03 7.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -179.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.47 ' CG2' ' CD1' ' A' ' 61' ' ' ILE . 0.5 OUTLIER -133.5 169.22 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.139 179.904 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.431 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 4.8 ptp180 -151.36 169.54 21.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.14 -176.71 46.62 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.496 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 134.97 175.88 14.08 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.533 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 -54.3 -24.57 19.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.786 0.327 . . . . 0.0 110.91 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -66.0 -36.59 83.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -109.44 14.15 23.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.957 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 51.94 48.88 21.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.906 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.8 ptm -151.95 166.19 32.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.551 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 0.8 OUTLIER -70.62 171.43 10.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.4 mt -95.79 128.68 42.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.591 ' CE2' ' HG3' ' A' ' 60' ' ' GLN . 1.6 m-85 -129.38 167.91 17.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 90.4 t -85.32 98.85 6.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.171 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.431 ' CD2' ' HB3' ' A' ' 29' ' ' ARG . 0.4 OUTLIER -43.41 -64.57 0.62 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.433 ' CD ' ' HB3' ' A' ' 27' ' ' SER . 0.0 OUTLIER -155.23 165.9 35.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.47 ' CD2' ' HB1' ' A' ' 49' ' ' ALA . 12.2 mt -115.0 150.86 35.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.31 118.45 28.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.405 ' HA ' ' CD1' ' A' ' 50' ' ' ILE . 14.1 pt-20 -57.76 -29.47 64.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.904 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -113.56 30.09 7.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -113.38 166.58 12.16 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.456 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -24.92 28.88 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.679 2.253 . . . . 0.0 112.316 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.47 ' HB1' ' CD2' ' A' ' 43' ' ' LEU . . . -66.9 -58.4 5.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.405 ' CD1' ' HA ' ' A' ' 45' ' ' GLU . 8.2 tt -56.12 -14.34 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 40.5 mtp180 -93.61 -19.67 20.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.495 ' ND2' ' H ' ' A' ' 55' ' ' MET . 0.7 OUTLIER -67.39 -54.5 19.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.443 ' O ' ' CD ' ' A' ' 56' ' ' ARG . . . 94.95 -52.63 1.92 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.484 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.577 ' O ' ' CE1' ' A' ' 13' ' ' PHE . 17.9 mmt180 -45.34 -27.76 0.73 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.861 0.363 . . . . 0.0 110.909 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.495 ' H ' ' ND2' ' A' ' 52' ' ' ASN . 0.1 OUTLIER -120.87 139.68 52.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 179.93 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.443 ' CD ' ' O ' ' A' ' 53' ' ' GLY . 0.5 OUTLIER -137.43 -175.23 3.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.859 -179.917 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.5 t -93.52 111.32 24.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 135.23 -19.76 3.83 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.498 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.474 ' HB2' ' CG ' ' A' ' 92' ' ' LEU . 1.5 m-20 -74.05 176.68 6.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.792 0.329 . . . . 0.0 110.828 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.591 ' HG3' ' CE2' ' A' ' 39' ' ' TYR . 2.7 tt0 -121.17 120.73 36.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.899 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.47 ' CD1' ' CG2' ' A' ' 28' ' ' ILE . 17.1 mt -82.75 117.08 28.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.139 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -103.14 -20.61 5.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -132.31 150.07 52.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.49 ' O ' ' N ' ' A' ' 67' ' ' GLU . 97.1 mt -141.75 127.27 18.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.124 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.545 ' N ' ' O ' ' A' ' 89' ' ' ARG . 22.6 m-20 33.64 48.55 0.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 57.73 43.06 94.66 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.485 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 64' ' ' ILE . 17.8 mt-10 -136.25 110.3 8.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.885 0.374 . . . . 0.0 110.87 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 89.3 p -42.62 109.0 0.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.4 p -80.31 57.92 2.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.128 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 30.6 ptt180 -111.1 138.8 47.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.409 ' OD1' ' N ' ' A' ' 71' ' ' ASP . 1.0 OUTLIER 52.9 36.28 21.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.825 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 6.3 mtm -108.13 156.1 19.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 76' ' ' ARG . 79.6 p -106.49 145.38 31.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.167 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.439 ' C ' ' O ' ' A' ' 73' ' ' THR . 20.9 t-160 -35.37 -35.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 73' ' ' THR . . . -59.67 -47.89 83.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.111 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.466 ' NE ' HD22 ' A' ' 80' ' ' LEU . 9.2 tpt180 -55.5 -62.33 1.75 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -46.95 -28.62 1.68 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.074 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 5.9 mm -78.56 -30.99 15.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -85.6 -23.15 27.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.466 HD22 ' NE ' ' A' ' 76' ' ' ARG . 32.0 mt -70.42 -40.12 74.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.943 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 17.2 mt -62.0 -30.59 48.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.18 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.0 ptpt -97.06 -14.52 21.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 26.4 t -78.63 -31.58 47.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.832 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -69.39 -40.5 79.88 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.463 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 127.97 -132.77 7.53 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.505 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 30.7 mtt85 -87.91 -16.84 32.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.855 0.36 . . . . 0.0 110.927 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 25.6 mtm-85 -115.59 127.14 55.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.624 ' CG1' ' CE2' ' A' ' 24' ' ' PHE . 12.4 p -125.08 144.2 35.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.124 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.545 ' O ' ' N ' ' A' ' 65' ' ' ASN . 62.1 mtt85 -137.69 123.82 20.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.497 ' CD2' HG23 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -138.56 148.62 44.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.527 ' C ' ' CD2' ' A' ' 91' ' ' LEU . 1.8 tt -88.83 109.98 20.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.474 ' CG ' ' HB2' ' A' ' 59' ' ' ASP . 9.2 tp -121.36 142.86 49.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.936 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.84 135.58 52.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 29.1 tpt180 -111.6 142.98 43.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -83.63 48.63 4.08 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.495 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.9 t -92.12 -11.43 35.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.865 0.364 . . . . 0.0 111.139 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -63.57 -61.62 6.08 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.507 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.4 m -172.78 158.04 3.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.894 0.378 . . . . 0.0 110.856 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -144.85 124.37 2.14 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 110.35 2.53 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.7 2.267 . . . . 0.0 112.309 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 71.1 m 51.3 43.88 29.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 28.6 t -78.55 150.38 32.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.496 179.996 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.6 p -118.12 121.9 41.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.859 0.361 . . . . 0.0 110.884 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.8 m -50.26 112.84 0.74 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.67 140.11 9.66 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.509 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.3 m -112.63 95.05 5.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.869 0.366 . . . . 0.0 110.889 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.3 t -106.92 113.62 27.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.845 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -50.38 165.02 0.64 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.485 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -125.79 92.33 3.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.767 0.318 . . . . 0.0 110.911 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.494 ' HB2' ' CZ ' ' A' ' 12' ' ' TYR . 5.3 m-20 -47.68 172.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.424 ' O ' ' CG ' ' A' ' 11' ' ' ASP . 9.4 m-85 -42.82 -51.06 5.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.424 ' CG ' ' O ' ' A' ' 10' ' ' PHE . 4.7 m-20 -175.11 105.92 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.494 ' CZ ' ' HB2' ' A' ' 9' ' ' ASP . 12.3 m-85 -80.57 86.07 5.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.928 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.596 ' CE1' ' O ' ' A' ' 54' ' ' ARG . 9.1 p90 -108.1 147.28 31.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 69.8 p -91.86 163.4 14.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.143 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 62.8 t -122.1 141.91 40.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.144 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -135.57 112.68 10.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.6 mtm -146.39 -179.99 7.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.448 ' O ' ' CD2' ' A' ' 24' ' ' PHE . 3.2 mt-10 -125.06 175.33 7.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.891 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.558 ' HD3' ' CE1' ' A' ' 24' ' ' PHE . 0.6 OUTLIER -70.82 162.29 29.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.925 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -141.0 -113.21 1.01 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.534 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.03 -57.41 2.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.843 0.354 . . . . 0.0 111.088 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.0 mmtm -109.3 31.11 6.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.47 93.65 1.05 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.506 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.558 ' CE1' ' HD3' ' A' ' 19' ' ' LYS . 55.3 m-85 52.3 29.41 6.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.856 0.36 . . . . 0.0 110.896 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.511 ' C ' ' O ' ' A' ' 24' ' ' PHE . . . 28.04 49.3 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.511 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.666 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -153.61 137.28 16.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.834 0.35 . . . . 0.0 110.844 -179.855 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.4 t -117.5 161.53 19.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -122.15 170.43 12.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.162 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -146.49 161.29 40.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.92 -164.85 50.52 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.449 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 131.1 179.43 16.11 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.5 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.423 ' HG3' ' C ' ' A' ' 71' ' ' ASP . 14.6 mmm180 -61.48 -21.47 64.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.78 0.324 . . . . 0.0 110.9 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -67.78 -33.24 74.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -110.62 7.37 22.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.896 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 60.34 49.14 7.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.2 ptm -153.8 160.72 42.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.533 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 0.7 OUTLIER -67.13 171.51 5.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.1 mt -94.95 120.52 35.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.533 ' CE1' ' O ' ' A' ' 37' ' ' ASP . 1.8 m-85 -121.34 158.99 27.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.945 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.4 t -71.96 108.98 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.138 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.418 ' CD1' ' C ' ' A' ' 41' ' ' LEU . 2.0 tm? -63.06 -57.86 9.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.517 ' HG2' ' N ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -156.17 154.67 31.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.517 ' N ' ' HG2' ' A' ' 42' ' ' ARG . 9.7 mt -113.32 139.47 48.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.75 113.99 19.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.076 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.457 ' HA ' ' CD1' ' A' ' 50' ' ' ILE . 11.5 pt-20 -59.91 -18.85 47.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -115.57 21.02 14.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.83 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -106.92 168.53 14.41 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.493 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -17.58 37.38 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.714 2.276 . . . . 0.0 112.319 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 52' ' ' ASN . . . -71.25 -69.46 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.105 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.457 ' CD1' ' HA ' ' A' ' 45' ' ' GLU . 4.9 tt -43.58 -25.67 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 53.2 mtp180 -78.65 -36.71 43.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 49' ' ' ALA . 0.2 OUTLIER -57.77 -60.5 3.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.502 ' O ' ' N ' ' A' ' 55' ' ' MET . . . 100.83 -52.46 0.92 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.457 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.596 ' O ' ' CE1' ' A' ' 13' ' ' PHE . 37.3 mmt-85 -34.3 -32.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.803 0.335 . . . . 0.0 110.86 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.502 ' N ' ' O ' ' A' ' 53' ' ' GLY . 13.7 ptm -122.67 146.51 47.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.69 -175.45 3.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.463 ' CG2' ' HB2' ' A' ' 43' ' ' LEU . 82.1 t -86.65 146.12 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.107 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 77.62 28.95 56.37 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.477 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.422 ' OD1' ' O ' ' A' ' 93' ' ' LYS . 2.2 t0 -105.53 166.04 10.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.768 0.318 . . . . 0.0 110.863 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.492 ' NE2' ' O ' ' A' ' 61' ' ' ILE . 1.5 tm0? -109.58 113.21 25.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.492 ' O ' ' NE2' ' A' ' 60' ' ' GLN . 43.7 mt -85.45 126.97 40.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.469 ' CD1' ' N ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -104.58 -24.93 3.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 179.9 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.482 ' HB3' ' CB ' ' A' ' 91' ' ' LEU . 28.3 tt0 -132.29 150.88 52.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.476 HG13 ' CG2' ' A' ' 69' ' ' THR . 96.6 mt -146.18 105.16 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 80' ' ' LEU . 26.6 m-20 63.75 31.96 13.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.59 -17.16 59.83 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.497 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.421 ' CD ' HD11 ' A' ' 80' ' ' LEU . 19.9 mt-10 -76.23 145.62 39.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.807 0.337 . . . . 0.0 110.907 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.454 ' O ' ' C ' ' A' ' 69' ' ' THR . 3.7 m -83.83 22.38 1.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.782 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.476 ' CG2' HG13 ' A' ' 64' ' ' ILE . 37.7 p 33.36 43.32 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.118 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.421 ' C ' ' HD3' ' A' ' 70' ' ' ARG . 0.6 OUTLIER -99.0 123.24 43.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.423 ' C ' ' HG3' ' A' ' 32' ' ' ARG . 19.0 m-20 59.19 43.55 16.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.4 mtm -114.44 142.41 46.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 41.4 p -95.45 151.22 19.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.15 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 14.4 t-160 -39.11 -39.26 0.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.24 -53.86 52.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.083 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -47.97 -54.32 13.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.76 -44.78 66.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.122 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.9 mm -67.38 -14.57 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -94.85 -32.95 13.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.496 ' O ' ' ND2' ' A' ' 65' ' ' ASN . 26.7 mt -68.62 -41.47 79.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.966 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 28.5 mt -56.77 -35.0 44.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.109 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.412 ' HA ' ' NZ ' ' A' ' 19' ' ' LYS . 2.3 ptpt -97.17 -13.58 22.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.9 t -73.18 -36.28 66.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.822 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -70.85 -36.29 65.79 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.526 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.436 ' O ' ' NZ ' ' A' ' 19' ' ' LYS . . . 132.02 -129.51 5.62 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.485 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 12.3 mtm180 -94.83 -19.27 20.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.864 0.364 . . . . 0.0 110.909 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 39.5 mtp180 -109.56 123.41 49.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.546 HG12 ' CE2' ' A' ' 24' ' ' PHE . 13.0 p -122.78 148.85 26.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.137 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 12.7 ttt180 -141.02 115.17 9.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.846 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.472 ' CD2' HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -128.83 147.15 50.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.482 ' CB ' ' HB3' ' A' ' 63' ' ' GLU . 3.8 tt -86.25 115.35 23.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.447 ' N ' HD22 ' A' ' 91' ' ' LEU . 8.4 tp -124.27 153.58 41.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.422 ' O ' ' OD1' ' A' ' 59' ' ' ASP . 14.9 pttp -132.47 128.14 36.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.22 132.23 35.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.496 ' O ' ' N ' ' A' ' 97' ' ' GLY . . . -44.61 -59.57 4.18 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.518 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.8 t 39.41 24.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.852 0.358 . . . . 0.0 111.164 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 95' ' ' GLY . . . -82.86 125.35 6.93 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.487 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 27.8 m 57.3 40.24 27.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.936 0.398 . . . . 0.0 110.872 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 45.0 81.35 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.479 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 1.72 4.19 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.725 2.283 . . . . 0.0 112.333 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 80.4 p -83.42 53.35 2.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.824 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 39.3 t -116.53 99.09 6.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.846 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.464 -179.97 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.4 m -73.97 118.46 16.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.831 0.348 . . . . 0.0 110.853 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -169.43 112.83 0.51 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.27 101.27 0.29 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.468 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.0 p -101.53 177.89 4.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 110.854 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.2 m -167.04 135.98 2.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.25 -148.67 4.8 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.459 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -71.47 -43.99 65.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.786 0.327 . . . . 0.0 110.934 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -92.87 144.97 24.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.812 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.452 ' CE1' ' HB2' ' A' ' 93' ' ' LYS . 0.7 OUTLIER -112.82 -32.03 6.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.9 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -159.2 110.62 2.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -95.6 90.96 5.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.954 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.598 ' CD2' ' O ' ' A' ' 92' ' ' LEU . 17.7 p90 -114.57 155.0 27.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 46.2 p -98.9 155.29 17.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.109 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 72.6 t -113.59 143.79 22.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -136.12 113.81 11.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.829 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.3 mtm -148.9 175.57 11.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.407 ' O ' ' CD2' ' A' ' 24' ' ' PHE . 2.7 mt-10 -120.63 174.91 6.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.502 ' N ' ' O ' ' A' ' 86' ' ' ARG . 21.1 ttmt -86.75 151.74 23.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -107.33 -118.69 4.35 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.487 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.66 -57.08 2.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.89 0.376 . . . . 0.0 111.083 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -114.89 28.79 8.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 131.81 -169.45 22.0 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.507 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.561 ' CE2' HG13 ' A' ' 88' ' ' VAL . 40.7 m-85 -81.92 39.62 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.905 0.383 . . . . 0.0 110.87 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 24' ' ' PHE . . . 33.48 40.2 0.12 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.482 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.647 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -153.05 140.18 19.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.829 0.347 . . . . 0.0 110.867 -179.831 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.405 ' HB3' ' HB3' ' A' ' 41' ' ' LEU . 1.2 t -116.72 166.68 11.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -128.7 170.35 18.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.086 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.533 ' HA ' ' CE1' ' A' ' 74' ' ' HIS . 10.4 ptt180 -150.84 169.29 22.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.825 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.96 -163.15 54.94 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.441 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 126.08 165.21 11.97 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.466 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -43.26 -34.6 1.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.761 0.315 . . . . 0.0 110.882 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -54.36 -41.01 68.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.927 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -106.1 19.75 20.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.922 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.9 mmtp 49.16 50.29 18.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 4.0 ptm -154.81 159.77 40.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.476 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 2.1 m-20 -66.69 171.31 5.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.3 mt -95.93 117.94 31.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.476 ' CE1' ' O ' ' A' ' 37' ' ' ASP . 1.2 m-85 -118.37 165.96 13.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.909 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.4 ' CG1' ' HA ' ' A' ' 57' ' ' VAL . 99.0 t -81.23 111.48 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.123 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.405 ' HB3' ' HB3' ' A' ' 27' ' ' SER . 1.8 tm? -62.15 -55.83 24.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.462 ' HG2' ' N ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -155.7 152.22 28.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.462 ' N ' ' HG2' ' A' ' 42' ' ' ARG . 7.6 mt -110.25 140.56 44.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -78.09 119.31 21.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.051 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.456 ' HA ' ' CD1' ' A' ' 50' ' ' ILE . 6.2 pt-20 -63.55 -23.5 67.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -116.51 25.66 10.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -106.73 170.78 16.41 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.426 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -28.25 25.65 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.674 2.25 . . . . 0.0 112.361 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 52' ' ' ASN . . . -63.81 -68.61 0.33 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.089 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.456 ' CD1' ' HA ' ' A' ' 45' ' ' GLU . 6.0 tt -44.33 -25.05 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.149 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 66.0 mtp85 -81.92 -33.81 30.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 49' ' ' ALA . 0.3 OUTLIER -58.83 -56.07 26.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' A' ' 55' ' ' MET . . . 95.56 -54.15 1.73 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.512 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.555 ' O ' ' CE1' ' A' ' 13' ' ' PHE . 48.4 mmt-85 -35.75 -31.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.832 0.349 . . . . 0.0 110.863 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.499 ' N ' ' O ' ' A' ' 53' ' ' GLY . 2.4 ptm -128.23 140.11 52.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.406 ' NH1' ' HA2' ' A' ' 53' ' ' GLY . 0.5 OUTLIER -130.71 171.2 13.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.929 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.486 HG22 ' N ' ' A' ' 58' ' ' GLY . 6.6 p -83.13 138.91 18.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.486 ' N ' HG22 ' A' ' 57' ' ' VAL . . . 103.52 -9.39 52.84 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.494 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.407 ' O ' ' HB3' ' A' ' 39' ' ' TYR . 23.2 m-20 -77.77 -174.75 3.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.742 0.305 . . . . 0.0 110.904 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.499 ' NE2' ' O ' ' A' ' 61' ' ' ILE . 10.2 tm0? -123.28 115.12 21.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.499 ' O ' ' NE2' ' A' ' 60' ' ' GLN . 21.8 mt -84.01 122.53 37.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.099 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.489 ' CD1' ' N ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -98.5 -31.82 3.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.846 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -131.74 150.45 52.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.927 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.47 HG13 ' CG2' ' A' ' 69' ' ' THR . 43.4 mt -139.19 114.91 8.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.13 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.486 ' ND2' ' O ' ' A' ' 80' ' ' LEU . 29.2 m-20 54.67 38.74 30.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 66.28 39.92 94.53 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.477 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -136.29 115.11 12.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.789 0.328 . . . . 0.0 110.92 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.8 t -48.57 113.02 0.68 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.47 ' CG2' HG13 ' A' ' 64' ' ' ILE . 22.3 p -85.65 47.07 1.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.143 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 -97.85 -37.73 9.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -121.61 45.54 2.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.473 ' CE ' HD12 ' A' ' 80' ' ' LEU . 6.5 mtm -122.79 150.59 42.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.433 ' O ' ' C ' ' A' ' 74' ' ' HIS . 33.7 p -105.76 147.55 28.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.2 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.533 ' CE1' ' HA ' ' A' ' 29' ' ' ARG . 12.7 t-160 -35.19 -41.85 0.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.815 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.66 -49.76 75.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 73' ' ' THR . 6.4 tpt180 -54.78 -63.18 1.23 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -43.97 -37.65 3.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.055 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 7.5 mm -66.16 -33.53 64.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.102 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 76' ' ' ARG . 2.1 pt-20 -81.96 -26.44 33.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.486 ' O ' ' ND2' ' A' ' 65' ' ' ASN . 92.5 mt -67.31 -42.41 83.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.94 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 20.0 mt -59.86 -30.1 44.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.145 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.6 ptpt -97.8 -17.97 19.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.1 t -73.19 -36.05 66.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -67.84 -41.92 87.41 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.497 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 131.44 -134.7 7.81 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.5 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.502 ' O ' ' N ' ' A' ' 19' ' ' LYS . 19.7 mtt-85 -88.18 -18.31 29.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.827 0.346 . . . . 0.0 110.881 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 81.5 mtt180 -113.68 123.09 49.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.561 HG13 ' CE2' ' A' ' 24' ' ' PHE . 12.5 p -119.55 149.27 22.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 26.8 ttt85 -141.39 114.48 8.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.489 ' CD2' HG23 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -129.34 148.91 51.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.446 HD23 ' N ' ' A' ' 92' ' ' LEU . 3.1 tt -87.8 114.56 24.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.598 ' O ' ' CD2' ' A' ' 13' ' ' PHE . 8.4 tp -123.39 157.01 34.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.452 ' HB2' ' CE1' ' A' ' 10' ' ' PHE . 4.1 ptmm? -129.62 128.99 43.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.83 140.62 36.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.896 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -88.1 68.46 2.98 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.469 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.424 HG23 ' N ' ' A' ' 97' ' ' GLY . 6.3 t -114.63 -39.98 3.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.856 0.36 . . . . 0.0 111.165 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.424 ' N ' HG23 ' A' ' 96' ' ' THR . . . -61.56 -149.89 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.467 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 42.4 p -40.2 104.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.915 0.388 . . . . 0.0 110.87 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -146.35 70.27 0.36 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.523 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -5.77 16.99 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.679 2.252 . . . . 0.0 112.335 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.0 m -85.6 24.52 1.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.834 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.8 m -101.05 -35.8 9.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.506 -179.992 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.4 p -84.03 86.86 7.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.847 0.356 . . . . 0.0 110.824 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -75.62 -48.34 22.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.32 133.87 18.71 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.516 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.4 t -86.75 132.63 33.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.925 0.393 . . . . 0.0 110.824 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.7 p -156.48 159.91 39.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.841 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.03 177.0 32.52 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.458 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -77.02 100.34 5.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.794 0.331 . . . . 0.0 110.958 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -123.46 177.2 5.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.833 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.512 ' CG ' ' HB ' ' A' ' 96' ' ' THR . 1.5 m-85 -117.87 -48.25 2.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.417 ' O ' ' CB ' ' A' ' 93' ' ' LYS . 43.8 t0 -167.37 118.65 0.88 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -98.95 82.45 2.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.596 ' CD1' ' O ' ' A' ' 92' ' ' LEU . 22.4 p90 -113.63 148.93 35.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.853 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 64.5 p -91.87 160.35 15.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.148 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 57.8 t -118.48 148.49 21.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.185 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -136.21 118.5 15.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.473 ' HE2' ' CD2' ' A' ' 26' ' ' PHE . 3.8 mtm -152.22 169.06 23.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.489 ' O ' ' CD1' ' A' ' 24' ' ' PHE . 6.2 mt-10 -121.18 175.01 6.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.569 ' HE2' ' CE2' ' A' ' 24' ' ' PHE . 2.5 ttmm -84.59 152.53 23.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -123.86 -158.52 10.15 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.49 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.18 -51.56 67.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.865 0.364 . . . . 0.0 111.096 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.4 ttmt -109.94 28.57 8.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 109.25 -167.22 12.82 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.47 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.638 ' CE1' ' CG1' ' A' ' 88' ' ' VAL . 68.2 m-85 -63.26 -12.11 26.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.897 0.379 . . . . 0.0 110.909 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.28 39.15 44.54 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.464 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.646 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -153.2 143.85 22.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.837 0.351 . . . . 0.0 110.91 -179.868 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 14.0 t -122.36 159.41 27.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -118.63 169.96 8.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.112 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -146.08 165.55 28.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.838 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.03 -168.62 54.81 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.507 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 131.21 171.87 12.98 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.494 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -51.86 -28.1 14.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.755 0.312 . . . . 0.0 110.877 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -62.12 -37.93 86.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.927 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -106.93 9.69 30.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.0 mmtm 55.98 48.77 17.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.3 ptm -151.25 162.72 40.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.545 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 6.0 m-20 -67.85 168.53 11.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.87 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.4 mt -94.22 119.94 33.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.545 ' CE1' ' O ' ' A' ' 37' ' ' ASP . 2.0 m-85 -120.47 168.3 11.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.466 HG21 ' CE ' ' A' ' 55' ' ' MET . 77.4 t -82.08 97.96 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.104 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.494 ' CD1' ' C ' ' A' ' 41' ' ' LEU . 1.5 tm? -48.03 -64.36 0.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.42 ' C ' ' HD2' ' A' ' 42' ' ' ARG . 0.3 OUTLIER -149.82 177.32 9.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.431 ' CD1' ' HA ' ' A' ' 56' ' ' ARG . 11.4 mt -130.46 151.1 51.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -91.17 114.26 26.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.119 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.65 -26.01 42.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -111.96 22.03 15.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -103.47 162.88 15.67 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.504 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -23.84 30.42 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.709 2.273 . . . . 0.0 112.36 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.87 -61.5 1.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.09 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 9.8 tt -51.85 -17.91 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 -87.31 -29.16 21.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.924 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.58 ' ND2' ' H ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -61.73 -60.37 3.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.58 ' H ' ' ND2' ' A' ' 52' ' ' ASN . . . 108.94 -49.89 0.82 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.462 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.477 ' C ' ' O ' ' A' ' 53' ' ' GLY . 26.0 mmt85 -31.92 -69.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.851 0.358 . . . . 0.0 110.885 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.487 ' SD ' ' N ' ' A' ' 56' ' ' ARG . 0.3 OUTLIER -87.32 173.69 9.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.487 ' N ' ' SD ' ' A' ' 55' ' ' MET . 0.7 OUTLIER -175.58 -175.77 0.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 31.2 t -81.55 128.11 39.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 110.37 -9.55 30.84 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.486 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.509 ' CB ' ' CD2' ' A' ' 92' ' ' LEU . 56.2 m-20 -83.39 169.5 15.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.803 0.335 . . . . 0.0 110.852 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.499 ' NE2' ' O ' ' A' ' 61' ' ' ILE . 3.8 tm0? -123.34 114.25 19.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.499 ' O ' ' NE2' ' A' ' 60' ' ' GLN . 5.8 mt -80.7 125.2 39.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -103.55 -29.64 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.138 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.471 ' HG2' ' N ' ' A' ' 64' ' ' ILE . 11.7 tt0 -135.89 150.73 49.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.475 ' CD1' ' HB1' ' A' ' 77' ' ' ALA . 96.5 mt -137.2 124.12 29.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 50.2 46.85 24.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 60.04 32.26 75.15 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.482 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -132.6 108.63 9.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.922 0.391 . . . . 0.0 110.848 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 18.1 p -45.9 117.12 1.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 30.8 p -76.61 50.12 0.66 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.155 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -102.31 133.62 46.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.4 t70 61.07 25.83 15.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 5.1 mtm -103.32 147.65 26.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 76' ' ' ARG . 46.8 p -100.36 143.95 29.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.18 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.452 ' C ' ' O ' ' A' ' 73' ' ' THR . 17.3 t-160 -34.28 -38.57 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.834 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.78 -49.21 78.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.139 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 73' ' ' THR . 7.4 tpt180 -55.16 -62.45 1.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.475 ' HB1' ' CD1' ' A' ' 64' ' ' ILE . . . -45.79 -31.93 2.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.079 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 6.5 mm -72.77 -32.06 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -82.88 -23.98 33.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 45.3 mt -70.37 -40.85 73.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 18.8 mt -61.47 -30.21 47.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.9 ptpt -97.26 -16.61 20.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 29.7 t -75.82 -29.84 58.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -70.47 -44.96 56.76 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.437 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 133.61 -149.88 19.78 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.463 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 19' ' ' LYS . 8.6 mtm-85 -69.1 -28.29 66.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 0.0 110.908 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -109.74 126.17 53.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.638 ' CG1' ' CE1' ' A' ' 24' ' ' PHE . 7.6 p -120.07 136.53 56.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.159 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 45.2 ttt180 -130.57 112.69 13.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.402 ' CD2' HG22 ' A' ' 88' ' ' VAL . 0.1 OUTLIER -123.38 148.94 45.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.452 ' CB ' ' HB3' ' A' ' 63' ' ' GLU . 1.3 tt -86.25 106.6 17.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.596 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 6.9 tp -115.19 151.48 34.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.417 ' CB ' ' O ' ' A' ' 11' ' ' ASP . 3.9 ptmm? -118.47 129.06 55.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.491 ' CD ' ' OD1' ' A' ' 59' ' ' ASP . 11.7 mmm-85 -103.46 162.09 13.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.833 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 95.79 -30.37 8.53 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.462 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.512 ' HB ' ' CG ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -78.87 -25.03 43.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.815 0.341 . . . . 0.0 111.142 -179.869 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -101.36 131.97 10.78 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.502 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 35.1 p -88.09 153.35 21.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.903 0.383 . . . . 0.0 110.85 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -166.71 96.69 0.13 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.468 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 139.31 39.87 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.675 2.25 . . . . 0.0 112.342 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 93.4 p -153.07 161.45 42.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.858 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 38.6 t 61.94 50.72 4.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.808 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.471 179.965 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.555 ' CZ ' ' O ' ' A' ' 54' ' ' ARG . 6.7 p90 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.958 0.409 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 44.3 p -93.68 159.13 15.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 84.2 t -117.32 143.41 27.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -135.35 118.92 16.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.6 mtm -152.93 163.9 38.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -117.76 175.25 5.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 86' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.647 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -152.89 142.82 22.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.836 0.35 . . . . 0.0 110.902 -179.889 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.5 t -118.17 168.83 10.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.824 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -130.55 168.65 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.098 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.451 ' CD ' ' CE ' ' A' ' 36' ' ' MET . 0.0 OUTLIER -146.29 164.92 30.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.438 ' CA ' ' HG3' ' A' ' 36' ' ' MET . . . 76.8 -172.97 54.85 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.483 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 132.3 165.2 11.22 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.481 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -46.82 -32.36 3.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.753 0.311 . . . . 0.0 110.869 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -58.38 -36.73 73.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -109.21 6.88 25.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 49.3 mmtm 58.77 53.91 5.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.451 ' CE ' ' CD ' ' A' ' 29' ' ' ARG . 3.3 ptm -157.82 160.11 37.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.501 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . 2.4 m-20 -64.22 170.66 3.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.898 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.3 mt -98.16 118.44 34.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.501 ' CZ ' ' HB2' ' A' ' 37' ' ' ASP . 1.9 m-85 -118.64 168.18 10.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.922 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 76.6 t -85.34 101.72 10.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.137 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.544 HD13 ' C ' ' A' ' 41' ' ' LEU . 0.6 OUTLIER -49.04 -67.31 0.28 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.456 ' HD3' ' N ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -147.36 -179.87 7.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.666 HD21 ' SD ' ' A' ' 55' ' ' MET . 11.8 mt -131.37 150.53 52.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.944 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.45 118.87 27.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.079 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.682 ' HA ' HD13 ' A' ' 50' ' ' ILE . 5.6 pt-20 -58.66 -33.3 69.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -111.54 36.66 3.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -119.97 165.18 13.56 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.531 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -16.2 37.49 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.742 2.294 . . . . 0.0 112.336 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.25 -60.72 2.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.105 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.682 HD13 ' HA ' ' A' ' 45' ' ' GLU . 9.4 tt -55.32 -15.29 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.16 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 39.4 mtp180 -94.2 -19.28 20.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.423 ' ND2' ' H ' ' A' ' 55' ' ' MET . 0.5 OUTLIER -65.72 -57.0 9.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.47 ' O ' ' CD ' ' A' ' 56' ' ' ARG . . . 98.03 -53.71 1.21 Allowed Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.475 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.555 ' O ' ' CZ ' ' A' ' 13' ' ' PHE . 17.8 mmt180 -40.35 -30.73 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.756 0.312 . . . . 0.0 110.851 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.666 ' SD ' HD21 ' A' ' 43' ' ' LEU . 0.2 OUTLIER -123.74 139.66 53.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.47 ' CD ' ' O ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -132.62 -176.11 3.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.84 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.613 HG23 HD12 ' A' ' 43' ' ' LEU . 95.0 t -91.0 117.02 33.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.116 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 114.88 19.54 5.99 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.472 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.763 ' HB2' HD21 ' A' ' 92' ' ' LEU . 1.0 OUTLIER -104.43 176.43 5.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.723 0.296 . . . . 0.0 110.896 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.495 ' NE2' ' O ' ' A' ' 61' ' ' ILE . 1.4 tm0? -120.48 118.23 29.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.568 HG12 HD13 ' A' ' 92' ' ' LEU . 14.4 mt -86.39 119.99 35.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.547 ' CG1' HD22 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -101.04 -18.06 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 179.872 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -142.09 151.72 42.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 78.5 mt -142.84 116.97 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.114 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 33.2 m-20 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.88 179.88 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 4.9 mtm . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.842 0.353 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 76' ' ' ARG . 35.5 p -106.38 145.81 31.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.414 ' C ' ' O ' ' A' ' 73' ' ' THR . 18.7 t-160 -37.2 -34.22 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.69 -46.78 83.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.115 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 73' ' ' THR . 6.7 tpt180 -54.7 -64.27 0.89 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -45.87 -33.06 2.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.105 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.6 mm -70.48 -32.39 49.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.13 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -84.02 -24.69 30.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.431 HD21 ' NE ' ' A' ' 76' ' ' ARG . 26.6 mt -67.92 -39.15 83.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 21.2 mt -63.83 -30.91 51.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.8 ptpt -97.04 -15.82 20.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 33.9 t -75.64 -34.65 60.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.832 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -71.33 -39.95 61.21 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.5 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 132.11 -127.83 5.06 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.497 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 19' ' ' LYS . 8.7 mtt-85 -94.31 -18.73 21.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.82 0.343 . . . . 0.0 110.879 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 31.3 mtm180 -109.47 122.81 48.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.756 HG22 HD23 ' A' ' 90' ' ' LEU . 8.8 p -122.96 124.68 70.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.12 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.405 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 17.4 ttp85 -118.74 112.49 19.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.756 HD23 HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -125.56 146.71 49.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.547 HD22 ' CG1' ' A' ' 62' ' ' ILE . 3.6 tt -84.69 112.83 20.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.763 HD21 ' HB2' ' A' ' 59' ' ' ASP . 6.7 tp . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.461 ' CE1' ' O ' ' A' ' 54' ' ' ARG . 19.4 p90 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.97 0.414 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 51.4 p -93.75 162.22 14.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.092 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.567 HG13 ' HB2' ' A' ' 54' ' ' ARG . 32.7 t -126.04 145.66 33.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.127 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -135.82 123.24 21.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.5 mtm -155.45 174.89 14.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.412 ' HA ' ' O ' ' A' ' 86' ' ' ARG . 3.8 mp0 -116.94 174.26 6.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.83 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 86' ' ' ARG . 13.0 ttmm . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.647 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -153.15 138.35 17.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.868 0.366 . . . . 0.0 110.877 -179.888 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.2 t -112.36 164.65 13.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.838 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -126.95 168.63 19.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.117 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.503 ' HB3' HD23 ' A' ' 41' ' ' LEU . 5.1 ptp85 -147.54 161.51 40.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.43 -167.69 53.31 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.505 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 132.01 168.58 12.11 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.487 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.44 ' NE ' ' HA ' ' A' ' 32' ' ' ARG . 3.2 mmp_? -49.16 -27.96 3.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.812 0.339 . . . . 0.0 110.884 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -61.86 -35.69 79.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -108.98 11.32 25.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 47.1 mmtt 57.85 47.26 15.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.2 ptm -152.45 162.55 41.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.49 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 0.4 OUTLIER -69.7 170.92 9.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.837 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.502 HD13 HD12 ' A' ' 64' ' ' ILE . 9.5 mt -95.76 116.14 28.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.494 ' CE2' ' HG2' ' A' ' 60' ' ' GLN . 1.8 m-85 -113.43 167.31 10.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 39.7 t -82.64 101.55 7.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.131 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.544 HD13 ' C ' ' A' ' 41' ' ' LEU . 1.0 OUTLIER -53.67 -66.07 0.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.466 ' HG2' ' N ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -150.42 150.11 30.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.814 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.466 ' N ' ' HG2' ' A' ' 42' ' ' ARG . 12.1 mt -106.03 151.13 25.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.69 118.58 29.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.885 ' HA ' HD13 ' A' ' 50' ' ' ILE . 7.9 pt-20 -59.67 -23.84 63.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.855 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -116.51 25.77 10.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -108.41 167.42 13.21 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.506 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -26.77 27.06 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.648 2.232 . . . . 0.0 112.357 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.459 ' CB ' ' HB3' ' A' ' 26' ' ' PHE . . . -65.61 -63.96 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.116 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.885 HD13 ' HA ' ' A' ' 45' ' ' GLU . 5.1 tt -46.98 -23.73 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.148 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 66.3 mtp180 -82.91 -31.26 27.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 49' ' ' ALA . 0.4 OUTLIER -58.06 -59.46 5.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.495 ' O ' ' N ' ' A' ' 55' ' ' MET . . . 98.65 -53.6 1.11 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.499 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.567 ' HB2' HG13 ' A' ' 15' ' ' VAL . 50.5 mmt-85 -36.84 -29.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.769 0.319 . . . . 0.0 110.878 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.495 ' N ' ' O ' ' A' ' 53' ' ' GLY . 3.1 ptm -125.28 146.11 49.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.464 ' HA ' HD11 ' A' ' 43' ' ' LEU . 5.3 mpt_? -140.13 -177.3 4.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 88.0 t -81.07 138.63 19.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.139 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 96.22 -24.82 28.51 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.482 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.977 ' CB ' HD21 ' A' ' 92' ' ' LEU . 6.0 m-20 -54.81 169.33 0.22 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.8 0.333 . . . . 0.0 110.84 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.494 ' HG2' ' CE2' ' A' ' 39' ' ' TYR . 0.3 OUTLIER -121.43 117.68 27.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 -179.89 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.592 HG12 HD13 ' A' ' 92' ' ' LEU . 6.7 mt -90.55 127.36 43.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.113 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.724 ' N ' HD13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -105.4 -16.87 7.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 179.878 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.41 ' HB3' ' CB ' ' A' ' 91' ' ' LEU . 16.2 tt0 -140.66 149.04 41.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.502 HD12 HD13 ' A' ' 38' ' ' LEU . 56.1 mt -141.19 119.9 10.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.162 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.41 ' ND2' ' O ' ' A' ' 80' ' ' LEU . 29.5 m-20 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.1 mtm . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.84 0.352 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 44.9 p -94.99 158.69 15.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.119 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.436 ' CE1' ' HA ' ' A' ' 29' ' ' ARG . 13.5 t-160 -44.27 -29.48 0.66 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.63 -50.33 38.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -49.6 -53.04 26.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.2 -50.13 67.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.089 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.4 ' HA ' HD12 ' A' ' 81' ' ' ILE . 2.9 mm -60.16 -16.96 13.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.072 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -95.21 -33.46 12.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.41 ' O ' ' ND2' ' A' ' 65' ' ' ASN . 30.7 mt -70.19 -40.26 74.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.4 HD12 ' HA ' ' A' ' 78' ' ' ILE . 20.7 mt -57.51 -32.7 42.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.159 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 7.3 ptpt -97.18 -12.08 23.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.6 t -81.17 -30.08 34.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.823 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -70.6 -43.39 60.7 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.501 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 134.7 -130.44 5.51 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.463 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 19' ' ' LYS . 6.8 mtm-85 -90.8 -24.34 20.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.79 0.328 . . . . 0.0 110.87 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 -109.3 130.62 55.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.666 HG22 HD23 ' A' ' 90' ' ' LEU . 11.9 p -124.86 142.19 42.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.131 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.407 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 42.6 ttt180 -133.25 121.17 22.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.666 HD23 HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -135.89 150.19 49.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.513 HD23 ' N ' ' A' ' 92' ' ' LEU . 3.7 tt -88.89 117.48 27.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.977 HD21 ' CB ' ' A' ' 59' ' ' ASP . 6.8 tp . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.482 ' CZ ' ' O ' ' A' ' 54' ' ' ARG . 11.4 p90 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.969 0.414 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 76.1 p -95.64 162.47 13.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.196 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.422 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 44.5 t -119.79 144.62 27.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.121 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -135.56 114.34 11.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.851 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.0 mtm -147.41 168.44 21.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.454 ' CG ' ' HG2' ' A' ' 87' ' ' ARG . 3.1 mt-10 -117.42 170.02 9.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 86' ' ' ARG . 12.3 ttmt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.628 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -153.3 137.17 16.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.884 0.374 . . . . 0.0 110.883 -179.887 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.6 t -111.02 158.28 18.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.841 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -123.18 170.08 13.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.136 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.591 ' HB3' HD23 ' A' ' 41' ' ' LEU . 10.8 ptt180 -150.49 165.32 33.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.866 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.05 -167.71 53.64 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.46 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.52 167.74 12.26 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.477 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -45.68 -34.52 3.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.781 0.324 . . . . 0.0 110.847 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -56.36 -39.99 73.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.405 ' HB2' ' SD ' ' A' ' 36' ' ' MET . 8.1 m-85 -104.57 18.09 22.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 68.8 mmtt 49.8 46.91 23.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.405 ' SD ' ' HB2' ' A' ' 34' ' ' TYR . 4.0 ptm -151.43 169.89 20.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.587 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 0.7 OUTLIER -77.3 170.63 16.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.88 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.3 mt -94.36 122.58 37.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.587 ' CE1' ' O ' ' A' ' 37' ' ' ASP . 1.0 OUTLIER -122.84 168.1 12.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 41.5 t -81.42 102.98 7.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.187 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.591 HD23 ' HB3' ' A' ' 29' ' ' ARG . 1.0 OUTLIER -55.3 -63.77 1.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.447 ' HG2' ' N ' ' A' ' 43' ' ' LEU . 0.5 OUTLIER -153.86 151.48 29.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.467 HD21 ' SD ' ' A' ' 55' ' ' MET . 11.9 mt -104.12 147.26 27.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.408 ' O ' ' CG2' ' A' ' 50' ' ' ILE . . . -85.21 118.5 24.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.142 179.75 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.834 ' HA ' HD13 ' A' ' 50' ' ' ILE . 11.4 pt-20 -61.52 -20.75 63.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -116.16 31.77 6.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.498 ' O ' HG22 ' A' ' 50' ' ' ILE . . . -122.56 164.57 15.53 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.512 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.429 ' N ' HH21 ' A' ' 51' ' ' ARG . 53.6 Cg_endo -69.8 -23.5 30.53 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.668 2.245 . . . . 0.0 112.328 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.452 ' CB ' ' HB3' ' A' ' 26' ' ' PHE . . . -65.62 -55.01 19.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.116 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.834 HD13 ' HA ' ' A' ' 45' ' ' GLU . 16.0 tt -58.2 -18.38 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.429 HH21 ' N ' ' A' ' 48' ' ' PRO . 48.2 mtm180 -94.62 -18.16 21.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -64.2 -55.75 19.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.422 ' O ' ' N ' ' A' ' 55' ' ' MET . . . 96.0 -54.26 1.61 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.506 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.482 ' O ' ' CZ ' ' A' ' 13' ' ' PHE . 66.0 mtt85 -37.61 -32.01 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.841 0.353 . . . . 0.0 110.885 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.571 ' HB2' HD22 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -124.58 150.21 46.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.424 ' HA ' HD11 ' A' ' 43' ' ' LEU . 5.0 mpt_? -142.31 -178.13 5.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 94.4 t -84.63 122.81 38.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.132 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 116.04 -33.94 4.95 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.492 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.796 ' HB2' HD21 ' A' ' 92' ' ' LEU . 57.2 m-20 -50.98 168.75 0.05 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.788 0.328 . . . . 0.0 110.812 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.456 HE22 HG23 ' A' ' 62' ' ' ILE . 17.0 tm0? -117.41 121.56 41.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.963 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.658 HG12 HD13 ' A' ' 92' ' ' LEU . 8.4 mt -93.52 128.63 44.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.488 ' N ' HD13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -107.36 -20.41 6.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 179.854 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -137.83 148.66 45.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 75.8 mt -141.4 123.98 14.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.092 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.0 m120 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 179.952 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 9.3 mtm . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.854 0.359 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 75' ' ' ALA . 67.6 p -107.17 146.5 31.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.447 ' CE1' ' HA ' ' A' ' 29' ' ' ARG . 13.6 t-160 -34.44 -36.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 73' ' ' THR . . . -61.26 -54.03 49.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.487 ' NE ' HD21 ' A' ' 80' ' ' LEU . 6.2 tpt180 -47.67 -55.8 8.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -49.66 -48.8 49.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.12 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.5 mm -60.82 -21.2 23.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.6 -33.25 16.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.828 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.487 HD21 ' NE ' ' A' ' 76' ' ' ARG . 40.2 mt -67.79 -39.66 84.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 24.7 mt -60.15 -33.76 54.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.158 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.406 ' HA ' ' NZ ' ' A' ' 19' ' ' LYS . 0.8 OUTLIER -97.44 -19.37 18.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.827 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.0 t -77.26 -30.12 54.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.872 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -68.63 -46.99 59.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.473 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 137.16 -132.0 5.8 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.468 ' O ' ' N ' ' A' ' 19' ' ' LYS . 43.1 mtt180 -92.12 -21.53 20.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.816 0.341 . . . . 0.0 110.855 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.454 ' HG2' ' CG ' ' A' ' 18' ' ' GLU . 62.7 mtt180 -115.34 122.88 47.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.603 HG22 HD23 ' A' ' 90' ' ' LEU . 11.0 p -118.82 145.75 24.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.169 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.422 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 43.6 ttt180 -136.13 117.24 14.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.603 HD23 HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -129.45 147.24 51.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.563 HD23 ' N ' ' A' ' 92' ' ' LEU . 4.0 tt -82.81 120.48 25.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.796 HD21 ' HB2' ' A' ' 59' ' ' ASP . 7.4 tp . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.542 ' CD1' ' O ' ' A' ' 92' ' ' LEU . 30.1 p90 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.951 0.405 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 64.4 p -103.93 157.33 17.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.162 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 44.6 t -114.39 143.32 24.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.146 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -135.64 110.85 8.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.5 mtm -145.39 178.5 8.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.476 ' CG ' ' HG2' ' A' ' 87' ' ' ARG . 7.9 mt-10 -128.25 173.74 9.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 86' ' ' ARG . 9.2 ttmt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.636 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -152.32 143.24 23.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.853 0.359 . . . . 0.0 110.84 -179.847 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.5 t -115.28 172.18 7.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.405 ' O ' ' NE2' ' A' ' 74' ' ' HIS . 0.6 OUTLIER -136.49 170.26 18.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.183 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.495 ' HA ' ' CE1' ' A' ' 74' ' ' HIS . 4.7 ptp180 -151.25 170.06 20.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.45 -171.26 51.7 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.474 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 130.89 171.76 12.97 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.5 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.5 mmt180 -50.64 -27.32 6.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.778 0.323 . . . . 0.0 110.883 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -62.55 -32.81 73.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -114.68 12.13 17.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.96 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.82 53.63 10.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.3 ptm -157.54 163.02 38.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.553 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 1.2 m-20 -67.34 171.0 6.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.5 mt -97.65 117.69 32.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.553 ' CE1' ' O ' ' A' ' 37' ' ' ASP . 0.4 OUTLIER -119.47 163.61 17.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 64.8 t -78.89 111.62 15.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.125 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.496 HD13 ' C ' ' A' ' 41' ' ' LEU . 2.1 tm? -61.07 -57.61 11.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.473 ' HG2' ' N ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -158.73 149.3 19.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.698 HD11 ' HA ' ' A' ' 56' ' ' ARG . 10.8 mt -100.55 151.07 22.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -86.39 116.68 24.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.754 ' HA ' HD13 ' A' ' 50' ' ' ILE . 15.9 pt-20 -63.11 -22.77 67.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -113.12 15.67 19.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -103.35 167.07 16.46 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.47 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -29.02 24.28 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.678 2.252 . . . . 0.0 112.336 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.32 -60.88 3.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.074 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.754 HD13 ' HA ' ' A' ' 45' ' ' GLU . 5.6 tt -53.35 -16.83 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.127 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.2 mtp-105 -89.76 -27.28 20.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.59 -58.26 8.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 55' ' ' MET . . . 98.85 -54.21 1.05 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.489 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.511 ' O ' ' CE2' ' A' ' 13' ' ' PHE . 11.9 mmp_? -37.46 -31.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.821 0.344 . . . . 0.0 110.85 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.447 ' N ' ' O ' ' A' ' 53' ' ' GLY . 2.2 ptm -127.24 140.43 52.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.698 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.4 OUTLIER -135.99 171.5 14.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.891 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.426 HG12 ' H ' ' A' ' 57' ' ' VAL . 0.2 OUTLIER -79.98 128.84 38.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.155 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 112.67 2.2 25.71 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.528 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.803 ' HB2' HD21 ' A' ' 92' ' ' LEU . 1.7 m-20 -92.76 170.69 9.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.739 0.304 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 61' ' ' ILE . 5.8 tm0? -112.18 114.54 27.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.632 HG12 HD13 ' A' ' 92' ' ' LEU . 23.7 mt -83.05 125.65 40.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.687 ' N ' HD13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -103.16 -23.96 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.87 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -137.38 154.7 49.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 96.1 mt -142.48 115.17 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.469 ' ND2' ' O ' ' A' ' 80' ' ' LEU . 34.0 m-20 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.829 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 4.1 mtm . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.819 0.342 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.418 ' O ' ' N ' ' A' ' 75' ' ' ALA . 35.6 p -97.55 148.89 22.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.133 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.495 ' CE1' ' HA ' ' A' ' 29' ' ' ARG . 17.1 t-160 -40.07 -28.38 0.05 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 73' ' ' THR . . . -69.68 -49.89 49.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.103 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.408 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 7.7 tpt180 -54.17 -59.4 4.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -48.49 -34.55 11.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.163 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.4 HG12 ' O ' ' A' ' 74' ' ' HIS . 4.8 mm -69.34 -27.51 34.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 76' ' ' ARG . 1.8 pt-20 -88.5 -23.59 23.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.469 ' O ' ' ND2' ' A' ' 65' ' ' ASN . 83.3 mt -71.65 -42.87 67.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 23.8 mt -57.61 -32.41 42.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.162 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -97.22 -16.27 20.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 39.0 t -73.84 -32.52 63.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -69.15 -39.98 82.82 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.534 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 130.4 -139.71 11.17 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.51 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 19' ' ' LYS . 15.7 mtm180 -82.29 -22.51 35.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.79 0.328 . . . . 0.0 110.867 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.476 ' HG2' ' CG ' ' A' ' 18' ' ' GLU . 70.7 mtp180 -112.47 123.06 49.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.601 HG22 HD23 ' A' ' 90' ' ' LEU . 10.6 p -118.85 147.21 22.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.149 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 19.9 ttm180 -140.72 116.91 10.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.601 HD23 HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -127.78 150.5 49.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.486 HD23 ' N ' ' A' ' 92' ' ' LEU . 2.0 tt -87.18 112.0 21.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.803 HD21 ' HB2' ' A' ' 59' ' ' ASP . 8.5 tp . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.495 ' CE1' ' O ' ' A' ' 54' ' ' ARG . 32.7 p90 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.929 0.395 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 59.2 p -102.72 156.54 17.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.105 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.404 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 66.5 t -114.01 143.78 23.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.107 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -135.29 115.98 13.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.8 mtm -151.68 171.73 17.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.871 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -117.09 174.69 5.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 86' ' ' ARG . 35.4 ttmt . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.654 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -153.09 140.93 20.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.869 0.366 . . . . 0.0 110.896 -179.898 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.2 t -117.95 165.23 13.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -126.55 169.88 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.12 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.468 ' HA ' ' CE1' ' A' ' 74' ' ' HIS . 4.0 ptp180 -145.99 165.06 30.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.5 -167.11 53.81 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 132.05 168.21 12.02 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.521 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -52.41 -19.03 1.9 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.747 0.308 . . . . 0.0 110.864 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -69.13 -36.41 77.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -107.87 8.04 28.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.6 mptt 60.79 50.36 5.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.2 ptm -153.88 167.06 30.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.545 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 22.6 m-20 -73.4 170.51 14.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.464 HD13 ' CD1' ' A' ' 64' ' ' ILE . 12.4 mt -94.57 117.53 30.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.918 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.545 ' CE1' ' O ' ' A' ' 37' ' ' ASP . 1.5 m-85 -118.01 167.1 11.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.479 HG21 ' O ' ' A' ' 56' ' ' ARG . 29.7 t -76.5 112.54 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.133 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.556 HD13 ' C ' ' A' ' 41' ' ' LEU . 3.5 tm? -66.87 -60.78 2.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.443 ' HG2' ' N ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -155.35 149.28 25.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.443 ' N ' ' HG2' ' A' ' 42' ' ' ARG . 11.8 mt -107.22 150.2 26.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.82 117.87 28.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.107 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.872 ' HA ' HD13 ' A' ' 50' ' ' ILE . 14.5 pt-20 -62.46 -15.12 48.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -121.17 12.24 11.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -96.76 168.24 24.83 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.492 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -25.75 28.45 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.702 2.268 . . . . 0.0 112.364 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 52' ' ' ASN . . . -64.42 -66.03 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.872 HD13 ' HA ' ' A' ' 45' ' ' GLU . 3.8 tt -45.96 -22.75 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -84.84 -32.25 23.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.846 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 49' ' ' ALA . 0.3 OUTLIER -58.1 -59.4 5.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.917 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' A' ' 55' ' ' MET . . . 99.36 -54.09 0.99 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.434 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.495 ' O ' ' CE1' ' A' ' 13' ' ' PHE . 16.5 mmt85 -34.52 -32.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.789 0.328 . . . . 0.0 110.861 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.5 ' N ' ' O ' ' A' ' 53' ' ' GLY . 4.1 ptm -123.92 144.94 49.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.479 ' O ' HG21 ' A' ' 40' ' ' VAL . 0.4 OUTLIER -138.02 -176.32 4.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.831 -179.89 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.442 HG23 HD12 ' A' ' 43' ' ' LEU . 57.7 t -85.5 140.51 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 92.31 3.77 66.95 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.472 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.89 ' CB ' HD21 ' A' ' 92' ' ' LEU . 4.0 m-20 -87.54 166.77 14.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.769 0.318 . . . . 0.0 110.841 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.45 ' HG2' ' CE2' ' A' ' 39' ' ' TYR . 0.3 OUTLIER -113.22 119.02 36.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.616 HG12 HD13 ' A' ' 92' ' ' LEU . 12.4 mt -90.84 122.8 42.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.576 ' N ' HD13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -100.45 -35.05 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.161 179.833 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -120.56 145.33 47.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.464 ' CD1' HD13 ' A' ' 38' ' ' LEU . 50.9 mt -137.77 110.49 7.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.127 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.481 ' ND2' ' O ' ' A' ' 80' ' ' LEU . 34.2 m-20 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 4.9 mtm . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.851 0.357 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 40.7 p -91.87 154.67 18.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.468 ' CE1' ' HA ' ' A' ' 29' ' ' ARG . 9.5 t-160 -40.46 -33.09 0.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.83 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.23 -54.96 21.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.08 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -48.75 -47.95 41.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.865 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.28 -47.76 82.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.108 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.449 ' HA ' HD12 ' A' ' 81' ' ' ILE . 2.8 mm -62.45 -17.95 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.083 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -93.72 -33.05 13.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.481 ' O ' ' ND2' ' A' ' 65' ' ' ASN . 24.9 mt -68.85 -35.58 77.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.449 HD12 ' HA ' ' A' ' 78' ' ' ILE . 21.3 mt -62.56 -35.5 70.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -97.08 -12.76 22.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.5 t -74.03 -34.87 64.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -70.05 -42.53 67.84 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.474 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 134.94 -131.88 6.04 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.506 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 19' ' ' LYS . 49.0 mtt180 -90.68 -18.36 25.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.756 0.312 . . . . 0.0 110.869 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.473 ' CZ ' ' HB2' ' A' ' 87' ' ' ARG . 21.4 mtm105 -111.55 123.84 51.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.686 HG22 HD23 ' A' ' 90' ' ' LEU . 10.9 p -122.39 144.73 30.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.404 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 17.0 ttm180 -139.04 114.13 9.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.851 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.686 HD23 HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -127.8 147.71 50.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.953 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.466 HD23 ' N ' ' A' ' 92' ' ' LEU . 3.2 tt -88.43 115.39 25.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.89 HD21 ' CB ' ' A' ' 59' ' ' ASP . 10.2 tp . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.939 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.625 ' CD1' ' O ' ' A' ' 92' ' ' LEU . 30.3 p90 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.987 0.422 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 76.6 p -100.84 155.38 17.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 85.3 t -110.55 142.55 22.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -135.81 114.54 11.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.3 mtm -150.3 174.72 12.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -119.42 175.07 6.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 86' ' ' ARG . 26.2 ttmt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.654 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -153.04 143.62 22.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.9 0.381 . . . . 0.0 110.857 -179.881 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 46.6 t -118.99 164.37 15.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.808 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.402 ' O ' ' NE2' ' A' ' 74' ' ' HIS . 0.7 OUTLIER -124.06 169.21 15.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.104 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.583 ' HA ' ' CE1' ' A' ' 74' ' ' HIS . 1.2 ptp180 -148.25 156.02 42.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.63 -172.48 53.44 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 138.37 171.08 12.04 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.527 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.8 mmm180 -55.5 -17.58 5.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.765 0.317 . . . . 0.0 110.837 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.496 ' N ' HG22 ' A' ' 73' ' ' THR . 5.1 tp10 -72.87 -32.52 65.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.417 ' C ' ' HD2' ' A' ' 35' ' ' LYS . 16.7 m-85 -108.92 6.29 25.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.417 ' HD2' ' C ' ' A' ' 34' ' ' TYR . 8.3 mptt 64.55 41.32 5.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.925 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 2.7 ptm -147.92 165.32 31.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.528 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 3.8 m-20 -72.54 170.98 13.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.854 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.5 mt -95.59 118.15 31.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.946 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.528 ' CE1' ' O ' ' A' ' 37' ' ' ASP . 1.4 m-85 -117.34 167.78 10.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 86.6 t -82.56 100.13 6.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.128 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.516 HD13 ' C ' ' A' ' 41' ' ' LEU . 3.3 tm? -49.17 -65.3 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.472 ' HD3' ' N ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -147.42 -177.82 5.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.517 HD11 ' HA ' ' A' ' 56' ' ' ARG . 10.8 mt -134.74 147.61 50.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.958 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -88.34 120.04 29.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.068 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.836 ' HA ' HD13 ' A' ' 50' ' ' ILE . 12.7 pt-20 -60.84 -24.45 65.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -116.06 23.85 11.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -104.77 168.42 16.03 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.452 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -26.35 27.77 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.727 2.285 . . . . 0.0 112.387 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 52' ' ' ASN . . . -65.29 -67.05 0.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.137 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.836 HD13 ' HA ' ' A' ' 45' ' ' GLU . 4.5 tt -44.75 -21.65 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 51.8 mtp85 -87.08 -33.29 19.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.825 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 49' ' ' ALA . 0.4 OUTLIER -56.77 -57.54 12.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.918 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.502 ' O ' ' N ' ' A' ' 55' ' ' MET . . . 96.41 -53.53 1.53 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.469 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.45 ' O ' ' CZ ' ' A' ' 13' ' ' PHE . 14.5 mtp180 -36.37 -29.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.779 0.323 . . . . 0.0 110.863 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.502 ' N ' ' O ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -123.09 161.94 23.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.517 ' HA ' HD11 ' A' ' 43' ' ' LEU . 1.3 mpp_? -155.89 -175.19 5.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.861 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 42.7 t -86.93 135.17 25.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.151 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 99.47 7.41 54.07 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.48 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.772 ' CB ' HD21 ' A' ' 92' ' ' LEU . 70.0 m-20 -90.34 157.24 17.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.78 0.324 . . . . 0.0 110.85 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.432 ' CG ' ' CE2' ' A' ' 39' ' ' TYR . 0.9 OUTLIER -109.07 109.55 20.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.5 HG12 HD13 ' A' ' 92' ' ' LEU . 8.0 mt -82.25 136.23 23.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.116 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.568 ' N ' HD13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -116.85 -26.65 2.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.163 179.855 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -130.64 135.27 47.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 50.3 mt -132.34 123.51 50.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.099 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.422 ' ND2' ' O ' ' A' ' 80' ' ' LEU . 51.5 m-20 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 5.5 mtm . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.877 0.37 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.496 HG22 ' N ' ' A' ' 33' ' ' GLU . 49.1 p -91.88 166.9 12.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.167 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.583 ' CE1' ' HA ' ' A' ' 29' ' ' ARG . 9.3 t-160 -53.83 -24.02 14.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.938 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.03 -51.39 16.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.074 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -48.75 -54.77 13.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.78 -50.06 64.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.088 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.535 ' HA ' HD12 ' A' ' 81' ' ' ILE . 2.8 mm -60.19 -17.77 14.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.92 -33.62 12.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.422 ' O ' ' ND2' ' A' ' 65' ' ' ASN . 33.8 mt -69.78 -38.99 76.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.952 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.535 HD12 ' HA ' ' A' ' 78' ' ' ILE . 12.5 mt -58.71 -32.47 46.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.145 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -97.11 -14.88 21.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.4 t -78.78 -31.75 46.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -70.39 -34.59 68.61 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.521 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 127.37 -127.94 6.0 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.483 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 19' ' ' LYS . 18.8 mtt-85 -96.43 -17.98 20.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.787 0.327 . . . . 0.0 110.889 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 26.1 mtp85 -111.85 127.55 55.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.62 HG22 HD23 ' A' ' 90' ' ' LEU . 14.3 p -123.41 140.35 47.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.159 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.406 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 5.5 ttp180 -133.68 121.54 22.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.62 HD23 HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -136.81 149.2 47.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.75 HD23 ' N ' ' A' ' 92' ' ' LEU . 3.2 tt -82.6 129.04 34.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.966 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.772 HD21 ' CB ' ' A' ' 59' ' ' ASP . 11.0 tp . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.939 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.544 ' CE1' ' O ' ' A' ' 54' ' ' ARG . 18.4 p90 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.944 0.402 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 32.2 p -101.07 158.99 15.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.114 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 39.4 t -113.98 143.35 23.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.145 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -135.62 114.52 12.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.3 mtm -149.6 173.25 13.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -124.01 171.58 9.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 86' ' ' ARG . 9.7 ttmt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.922 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.611 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.4 OUTLIER -152.78 147.07 25.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.873 0.368 . . . . 0.0 110.884 -179.911 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.2 t -119.68 164.04 16.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.415 HG22 ' CD1' ' A' ' 61' ' ' ILE . 0.7 OUTLIER -126.1 170.2 16.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.454 ' HD2' ' N ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -149.76 167.42 26.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.827 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.454 ' N ' ' HD2' ' A' ' 29' ' ' ARG . . . 74.27 -169.93 53.71 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.473 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 131.74 168.68 12.17 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -49.41 -27.25 3.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.767 0.318 . . . . 0.0 110.85 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.498 ' OE1' ' CZ ' ' A' ' 34' ' ' TYR . 4.4 tt0 -61.93 -36.06 80.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.498 ' CZ ' ' OE1' ' A' ' 33' ' ' GLU . 1.9 m-85 -110.59 11.75 22.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.6 mptt 54.44 52.73 11.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.886 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.435 ' CE ' ' CD ' ' A' ' 29' ' ' ARG . 3.6 ptm -155.67 161.61 40.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.521 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . 2.8 m-20 -66.0 171.04 4.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.7 mt -97.42 123.86 41.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.521 ' CZ ' ' HB2' ' A' ' 37' ' ' ASP . 2.4 m-85 -124.58 163.81 21.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 85.1 t -79.15 100.93 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.052 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.465 HD13 ' C ' ' A' ' 41' ' ' LEU . 0.5 OUTLIER -49.06 -66.87 0.33 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.888 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.473 ' HG2' ' N ' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -152.3 149.26 28.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.854 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.728 HD11 ' HA ' ' A' ' 56' ' ' ARG . 10.8 mt -98.48 151.18 20.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -91.16 113.33 25.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.096 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.878 ' HA ' HD13 ' A' ' 50' ' ' ILE . 11.9 pt-20 -58.32 -26.08 62.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -107.25 25.65 11.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.42 ' O ' HG22 ' A' ' 50' ' ' ILE . . . -114.88 163.56 12.17 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.539 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -22.26 32.28 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.696 2.264 . . . . 0.0 112.374 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.05 -58.05 6.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.878 HD13 ' HA ' ' A' ' 45' ' ' GLU . 8.4 tt -52.67 -15.63 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 77.7 mtt180 -92.07 -26.78 18.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -61.77 -60.2 4.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.485 ' O ' ' N ' ' A' ' 55' ' ' MET . . . 100.29 -54.01 0.91 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.544 ' O ' ' CE1' ' A' ' 13' ' ' PHE . 21.2 mmt180 -36.48 -30.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.85 0.357 . . . . 0.0 110.93 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.554 ' HB2' HD22 ' A' ' 92' ' ' LEU . 3.2 ptm -128.99 143.51 50.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.728 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -141.15 171.41 14.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.433 HG12 ' H ' ' A' ' 57' ' ' VAL . 0.2 OUTLIER -78.12 122.33 32.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 117.71 0.93 17.72 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.513 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.856 ' HB2' HD21 ' A' ' 92' ' ' LEU . 1.1 m-20 -89.51 -177.02 5.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 110.875 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 61' ' ' ILE . 3.2 tm0? -123.37 116.77 23.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.498 ' O ' ' NE2' ' A' ' 60' ' ' GLN . 6.7 mt -86.87 121.36 37.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.163 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.557 ' N ' HD13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -104.98 -19.91 6.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.099 179.903 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.474 ' HB3' ' CB ' ' A' ' 91' ' ' LEU . 15.4 tp10 -136.75 155.5 49.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.834 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 72.3 mt -147.72 115.13 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.132 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.3 m-20 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 179.962 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 5.9 mtm . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.871 0.367 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 76' ' ' ARG . 53.0 p -100.77 147.74 25.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 17.7 t-160 -38.51 -36.95 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.827 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.71 -46.67 87.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 73' ' ' THR . 8.0 tpt180 -53.08 -64.86 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -46.35 -38.51 8.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.088 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.8 mm -62.58 -31.3 51.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 76' ' ' ARG . 1.5 pt-20 -84.64 -28.19 26.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 46.9 mt -65.94 -38.88 89.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 20.4 mt -62.83 -30.29 49.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.167 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -97.32 -16.07 20.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.4 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 7.8 t -75.41 -34.22 61.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -68.28 -42.93 81.57 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.481 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 129.08 -140.69 11.91 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.454 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.469 ' O ' ' N ' ' A' ' 19' ' ' LYS . 15.6 mtt-85 -78.27 -25.23 46.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.863 0.363 . . . . 0.0 110.928 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 42.6 mtm180 -109.96 123.13 49.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.825 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.745 HG22 HD23 ' A' ' 90' ' ' LEU . 9.2 p -120.35 137.34 54.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.148 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 26.5 ttt180 -131.5 111.91 12.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.745 HD23 HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -124.83 145.71 49.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.474 ' CB ' ' HB3' ' A' ' 63' ' ' GLU . 2.0 tt -86.37 108.99 18.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.945 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.856 HD21 ' HB2' ' A' ' 59' ' ' ASP . 10.8 tp . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.586 ' CD1' ' O ' ' A' ' 92' ' ' LEU . 19.6 p90 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.944 0.402 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 68.1 p -94.23 159.71 15.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.163 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.2 t -116.87 149.54 19.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.174 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -135.51 117.23 15.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.7 mtm -151.57 171.78 17.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.844 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -122.82 173.92 7.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 86' ' ' ARG . 1.5 ttmm . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.634 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -153.31 132.72 12.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.853 0.359 . . . . 0.0 110.849 -179.856 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 31.7 t -106.81 161.22 14.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -125.54 169.8 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.1 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.559 ' HA ' ' CE1' ' A' ' 74' ' ' HIS . 1.8 ptp180 -149.53 162.97 39.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.837 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.31 -173.01 54.17 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.488 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 131.7 175.66 14.09 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.465 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 -57.21 -12.41 2.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.814 0.34 . . . . 0.0 110.861 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.475 ' CG ' ' HB ' ' A' ' 73' ' ' THR . 19.0 mt-10 -76.75 -28.9 55.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -118.17 6.92 12.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.9 mmmm 61.53 49.04 5.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.889 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.2 ptm -153.7 163.52 39.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.582 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 0.8 OUTLIER -68.31 171.12 7.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.4 mt -95.4 117.05 29.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.582 ' CE1' ' O ' ' A' ' 37' ' ' ASP . 0.7 OUTLIER -116.75 168.17 10.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.4 t -82.13 106.57 13.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.131 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.561 HD13 ' C ' ' A' ' 41' ' ' LEU . 2.7 tm? -58.64 -65.23 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.458 ' HG2' ' N ' ' A' ' 43' ' ' LEU . 0.8 OUTLIER -149.97 150.46 31.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.696 HD11 ' HA ' ' A' ' 56' ' ' ARG . 12.4 mt -102.87 151.21 22.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.404 ' HB3' ' HA3' ' A' ' 47' ' ' GLY . . . -87.52 114.46 24.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.094 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.808 ' HA ' HD13 ' A' ' 50' ' ' ILE . 2.5 pp20? -54.61 -41.05 69.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -101.53 19.07 18.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.404 ' HA3' ' HB3' ' A' ' 44' ' ' ALA . . . -100.29 164.06 19.12 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.476 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -18.94 36.66 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.67 2.247 . . . . 0.0 112.346 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.42 -62.3 1.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.808 HD13 ' HA ' ' A' ' 45' ' ' GLU . 7.0 tt -51.2 -19.06 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.111 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -87.61 -27.32 22.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.04 -56.05 22.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.497 ' O ' ' CD ' ' A' ' 56' ' ' ARG . . . 95.19 -53.79 1.84 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.471 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.435 ' O ' ' CZ ' ' A' ' 13' ' ' PHE . 17.6 mmt85 -36.98 -29.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.75 0.31 . . . . 0.0 110.83 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.486 ' N ' ' O ' ' A' ' 53' ' ' GLY . 2.3 ptt? -127.64 137.7 52.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.696 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -134.67 -174.49 3.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.908 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 48.3 t -89.03 131.25 36.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.127 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 111.17 -7.32 28.91 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.482 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.848 ' HB2' HD21 ' A' ' 92' ' ' LEU . 1.3 m-20 -84.58 171.28 12.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.77 0.319 . . . . 0.0 110.887 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.488 ' HG2' ' CE2' ' A' ' 39' ' ' TYR . 0.4 OUTLIER -117.8 124.5 48.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.574 HG12 HD13 ' A' ' 92' ' ' LEU . 12.7 mt -95.61 119.89 44.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.635 ' N ' HD13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -98.38 -17.1 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.85 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -139.54 156.01 47.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 89.7 mt -147.23 113.39 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.163 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.9 m120 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.972 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 4.9 mtm . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.893 0.377 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.475 ' HB ' ' CG ' ' A' ' 33' ' ' GLU . 9.7 p -91.71 143.65 26.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.559 ' CE1' ' HA ' ' A' ' 29' ' ' ARG . 11.1 t-160 -34.05 -37.4 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 73' ' ' THR . . . -60.0 -53.73 54.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.066 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' A' ' 73' ' ' THR . 9.6 tpp180 -48.38 -52.07 23.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.836 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -53.01 -50.96 63.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.422 HG22 ' O ' ' A' ' 78' ' ' ILE . 3.3 mm -57.17 -14.56 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.125 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.92 -41.97 8.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 25.7 mt -59.62 -36.1 75.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 26.3 mt -62.64 -36.09 73.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.145 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.3 ptpt -96.43 -11.5 25.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.2 t -83.47 -28.38 28.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.838 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -71.79 -37.28 61.27 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.472 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 127.91 -137.38 9.74 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.492 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 19' ' ' LYS . 22.5 mtt-85 -86.34 -21.92 26.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.779 0.323 . . . . 0.0 110.868 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 58.4 mtt180 -114.22 122.85 48.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.669 HG22 HD23 ' A' ' 90' ' ' LEU . 7.7 p -118.74 143.74 28.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.171 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 21.9 ttm180 -137.26 112.45 9.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.669 HD23 HG22 ' A' ' 88' ' ' VAL . 0.1 OUTLIER -121.38 154.48 36.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.567 HD22 ' CG1' ' A' ' 62' ' ' ILE . 2.2 tt -91.28 111.2 22.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.916 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.848 HD21 ' HB2' ' A' ' 59' ' ' ASP . 11.4 tp . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.605 ' CD1' ' O ' ' A' ' 92' ' ' LEU . 13.7 p90 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.96 0.41 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 77.2 p -92.93 161.48 14.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.14 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 47.7 t -121.23 148.66 24.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.137 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -135.81 118.24 15.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.8 mtm -151.52 171.35 17.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.942 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -118.62 174.44 6.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 86' ' ' ARG . 18.3 ttmt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.659 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -150.78 137.8 19.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.901 0.382 . . . . 0.0 110.859 -179.88 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.9 t -116.71 159.22 22.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.838 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -119.98 167.34 13.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.178 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.96 164.96 29.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.17 -162.41 53.63 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.492 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 132.47 171.7 12.84 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.536 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.468 ' NE ' ' HA ' ' A' ' 32' ' ' ARG . 3.3 mmp_? -55.59 -29.97 60.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.785 0.326 . . . . 0.0 110.876 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -60.9 -37.85 83.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -102.86 17.29 24.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.964 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp 50.81 46.8 25.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.902 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.8 ptm -151.84 162.95 40.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.93 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.537 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 1.9 m-20 -72.03 171.21 12.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.4 mt -94.81 124.53 38.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.537 ' CE1' ' O ' ' A' ' 37' ' ' ASP . 2.3 m-85 -123.4 167.26 14.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.7 t -78.59 98.69 2.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.131 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.563 HD13 ' C ' ' A' ' 41' ' ' LEU . 0.9 OUTLIER -51.31 -61.42 2.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.464 ' HG2' ' N ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -155.64 151.56 27.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.934 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.464 ' N ' ' HG2' ' A' ' 42' ' ' ARG . 10.3 mt -107.08 145.44 32.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -84.59 119.12 24.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.88 ' HA ' HD13 ' A' ' 50' ' ' ILE . 17.2 pt-20 -61.95 -27.08 68.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.935 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -111.91 27.71 9.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -112.02 169.94 13.37 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.494 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -28.26 25.56 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.728 2.285 . . . . 0.0 112.334 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 52' ' ' ASN . . . -61.95 -68.85 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.079 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.88 HD13 ' HA ' ' A' ' 45' ' ' GLU . 4.8 tt -42.92 -25.13 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.134 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 90.3 mtt-85 -82.65 -35.25 27.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.472 ' N ' ' O ' ' A' ' 49' ' ' ALA . 0.3 OUTLIER -55.8 -60.14 3.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.508 ' O ' ' N ' ' A' ' 55' ' ' MET . . . 97.97 -51.79 1.29 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.452 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.505 ' O ' ' CE2' ' A' ' 13' ' ' PHE . 74.7 mtt-85 -33.76 -33.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.784 0.326 . . . . 0.0 110.904 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.523 ' HB2' HD22 ' A' ' 92' ' ' LEU . 9.0 ptm -126.8 149.98 49.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.422 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -138.83 -175.18 4.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 79.7 t -85.38 144.38 9.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 95.26 -25.58 23.59 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.507 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.905 ' CB ' HD21 ' A' ' 92' ' ' LEU . 30.9 m-20 -56.15 173.84 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.786 0.327 . . . . 0.0 110.868 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.7 tm0? -123.21 116.57 23.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.556 HG12 HD13 ' A' ' 92' ' ' LEU . 5.3 mt -86.64 130.15 37.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.489 ' N ' HD13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -107.82 -21.46 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.129 179.877 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -143.25 158.68 43.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.842 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 78.1 mt -147.89 126.82 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.111 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 27.8 m-20 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.852 179.937 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 8.6 mtm . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.854 0.359 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 74' ' ' HIS . 30.9 p -99.44 149.0 23.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.161 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.406 ' C ' ' O ' ' A' ' 73' ' ' THR . 12.7 t-160 -36.72 -37.04 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.32 -53.55 55.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.082 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.503 ' NE ' HD21 ' A' ' 80' ' ' LEU . 6.6 tpt180 -49.05 -55.31 12.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -51.73 -46.44 64.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.131 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 3.4 mm -62.99 -18.97 22.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.146 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -93.43 -32.24 14.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.503 HD21 ' NE ' ' A' ' 76' ' ' ARG . 30.7 mt -66.71 -37.64 85.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.892 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 21.8 mt -62.0 -34.38 62.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 7.8 ptpt -96.82 -15.84 21.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.4 t -79.0 -22.85 44.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -77.81 -50.72 6.28 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.446 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 144.0 -131.87 4.62 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.497 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 19' ' ' LYS . 12.4 mtm-85 -90.58 -23.74 20.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.786 0.327 . . . . 0.0 110.828 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 67.1 mtp180 -112.18 125.61 54.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.633 HG22 HD23 ' A' ' 90' ' ' LEU . 14.9 p -120.13 138.09 51.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.114 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.403 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 9.2 ttp180 -131.38 113.4 13.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.633 HD23 HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -123.21 154.11 39.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.479 HD22 ' CG1' ' A' ' 62' ' ' ILE . 2.7 tt -91.15 110.07 21.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.905 HD21 ' CB ' ' A' ' 59' ' ' ASP . 9.8 tp . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.503 ' CE1' ' O ' ' A' ' 54' ' ' ARG . 9.5 p90 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.915 0.388 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.549 HG21 HH21 ' A' ' 89' ' ' ARG . 22.3 p -91.73 155.0 18.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.136 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 84.6 t -111.52 143.79 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -135.06 120.05 18.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.8 mtm -154.67 174.23 15.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -118.85 174.05 6.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 86' ' ' ARG . 9.8 ttpt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.943 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.655 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -153.29 136.88 15.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.832 0.349 . . . . 0.0 110.857 -179.859 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.409 ' HB3' ' HB3' ' A' ' 41' ' ' LEU . 1.1 m -111.69 160.88 16.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -124.85 170.26 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.166 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.647 ' HB3' HD23 ' A' ' 41' ' ' LEU . 4.9 ptp85 -151.4 170.03 20.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.5 -172.47 48.12 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.473 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 130.4 171.68 12.97 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.533 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 -48.78 -28.11 3.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.75 0.31 . . . . 0.0 110.873 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -61.73 -38.51 88.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -108.32 13.11 25.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt 54.66 48.84 19.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.91 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.6 ptm -153.44 165.02 37.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.601 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 3.7 m-20 -70.19 171.34 9.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.8 mt -96.56 122.64 39.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.601 ' CE1' ' O ' ' A' ' 37' ' ' ASP . 0.5 OUTLIER -124.84 166.76 15.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.925 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.2 t -76.39 110.99 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.114 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.647 HD23 ' HB3' ' A' ' 29' ' ' ARG . 1.9 tm? -67.69 -62.83 1.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.937 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.475 ' HG2' ' N ' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -146.51 147.97 31.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.516 HD12 HG23 ' A' ' 57' ' ' VAL . 9.3 mt -109.39 147.81 32.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -84.98 116.95 23.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.072 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.826 ' HA ' HD13 ' A' ' 50' ' ' ILE . 12.0 pt-20 -61.52 -25.96 67.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -116.31 26.8 9.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -110.13 172.52 15.75 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.502 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -32.13 19.37 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.671 2.247 . . . . 0.0 112.374 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 52' ' ' ASN . . . -58.71 -69.23 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.826 HD13 ' HA ' ' A' ' 45' ' ' GLU . 5.5 tt -44.75 -22.97 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.132 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 66.7 mtp85 -85.56 -33.21 21.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.849 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 49' ' ' ALA . 0.3 OUTLIER -56.32 -59.94 4.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 -179.895 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.501 ' O ' ' N ' ' A' ' 55' ' ' MET . . . 100.2 -53.21 0.95 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.503 ' O ' ' CE1' ' A' ' 13' ' ' PHE . 22.2 mmt85 -35.99 -30.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.82 0.343 . . . . 0.0 110.874 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.582 ' HB2' HD22 ' A' ' 92' ' ' LEU . 5.6 ptm -124.92 147.02 49.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.423 ' HD3' ' C ' ' A' ' 55' ' ' MET . 1.2 mpp_? -138.78 -179.06 5.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.516 HG23 HD12 ' A' ' 43' ' ' LEU . 98.8 t -85.94 121.24 37.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.117 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 115.07 -10.65 20.46 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.516 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.78 ' CB ' HD21 ' A' ' 92' ' ' LEU . 0.9 OUTLIER -74.62 166.21 23.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.736 0.303 . . . . 0.0 110.874 -179.919 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.502 ' NE2' ' O ' ' A' ' 61' ' ' ILE . 2.4 tm0? -113.54 115.54 28.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.532 ' HA ' HD12 ' A' ' 92' ' ' LEU . 6.5 mt -81.12 119.87 31.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.59 ' N ' HD13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -96.14 -28.1 3.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.873 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -134.07 155.08 50.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 30.3 mt -143.24 119.2 4.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.159 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.489 ' ND2' ' O ' ' A' ' 80' ' ' LEU . 29.8 m-20 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 5.3 mtm . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.819 0.342 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 46.0 p -101.24 152.41 20.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.423 ' CE1' ' HA ' ' A' ' 29' ' ' ARG . 18.5 t-160 -39.82 -37.61 0.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.94 -47.73 83.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.079 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.426 ' NH1' ' OE2' ' A' ' 79' ' ' GLU . 6.7 tpt180 -52.65 -64.6 0.77 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.836 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -46.78 -37.61 8.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 10.4 mm -64.81 -31.52 54.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.145 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.426 ' OE2' ' NH1' ' A' ' 76' ' ' ARG . 2.0 pt-20 -87.78 -23.43 24.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.489 ' O ' ' ND2' ' A' ' 65' ' ' ASN . 51.5 mt -69.11 -42.02 76.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.901 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.544 HD13 ' CZ ' ' A' ' 26' ' ' PHE . 21.7 mt -61.01 -32.46 52.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.078 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -97.57 -16.92 19.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 28.8 t -71.86 -36.86 70.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -68.45 -48.53 50.66 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.475 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 143.0 -129.35 3.74 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.473 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.466 ' O ' ' N ' ' A' ' 19' ' ' LYS . 38.7 mtt180 -94.52 -15.72 23.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.85 0.357 . . . . 0.0 110.895 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 32.6 mtt180 -113.36 124.14 51.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.637 HG22 HD23 ' A' ' 90' ' ' LEU . 11.6 p -122.42 147.06 26.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.099 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.549 HH21 HG21 ' A' ' 14' ' ' THR . 32.7 ttt180 -141.23 111.85 7.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.637 HD23 HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -125.66 147.93 49.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.539 HD23 ' N ' ' A' ' 92' ' ' LEU . 2.4 tt -85.66 120.77 27.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.78 HD21 ' CB ' ' A' ' 59' ' ' ASP . 7.0 tp . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.609 ' CE2' ' O ' ' A' ' 92' ' ' LEU . 6.1 p90 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.906 0.384 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 37.9 p -93.27 156.49 16.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.116 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.424 HG22 ' HE1' ' A' ' 13' ' ' PHE . 63.2 t -113.11 140.71 31.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -135.22 117.91 16.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.2 mtm -151.24 171.16 17.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -123.45 175.23 6.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.4 ' CB ' ' HG2' ' A' ' 86' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.916 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.649 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -153.11 136.23 15.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.871 0.367 . . . . 0.0 110.889 -179.829 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 27.2 t -110.55 172.22 6.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -136.2 170.31 18.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.498 ' HA ' ' CE1' ' A' ' 74' ' ' HIS . 3.1 ptp85 -149.14 169.7 20.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.99 -163.51 54.61 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.452 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 127.87 -179.99 16.17 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.508 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.431 ' NE ' ' HA ' ' A' ' 32' ' ' ARG . 3.9 mmp_? -60.67 -16.87 43.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.785 0.326 . . . . 0.0 110.86 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -71.62 -34.27 69.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -111.85 11.81 20.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.951 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm 55.95 49.68 15.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.878 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.3 ptm -152.49 163.18 40.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.523 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 17.9 m-20 -68.09 170.68 8.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.5 mt -95.24 117.29 30.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.579 ' CE2' ' HG2' ' A' ' 60' ' ' GLN . 1.7 m-85 -117.79 164.84 14.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 27.1 t -78.89 116.76 23.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.121 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.53 HD13 ' C ' ' A' ' 41' ' ' LEU . 1.8 tm? -69.13 -55.64 10.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.461 ' HG2' ' N ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -158.5 150.42 21.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.719 HD11 ' HA ' ' A' ' 56' ' ' ARG . 10.2 mt -104.1 151.28 23.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.428 ' HB3' ' HA3' ' A' ' 47' ' ' GLY . . . -86.99 112.97 22.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.099 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.865 ' HA ' HD13 ' A' ' 50' ' ' ILE . 11.5 pt-20 -58.43 -19.99 41.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -118.83 10.23 12.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.843 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.428 ' HA3' ' HB3' ' A' ' 44' ' ' ALA . . . -93.75 164.22 26.36 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.54 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -16.78 37.6 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.673 2.248 . . . . 0.0 112.339 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.86 -57.96 3.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.079 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.865 HD13 ' HA ' ' A' ' 45' ' ' GLU . 6.8 tt -54.7 -17.1 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -91.59 -21.17 20.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.847 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.439 ' ND2' ' H ' ' A' ' 55' ' ' MET . 0.5 OUTLIER -64.94 -55.65 17.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 96.64 -53.46 1.48 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.524 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.601 ' O ' ' CZ ' ' A' ' 13' ' ' PHE . 2.5 mmp_? -41.38 -29.72 0.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.835 0.35 . . . . 0.0 110.852 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.501 ' HB2' HD22 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -128.1 139.81 52.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.719 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -135.13 176.68 8.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -86.74 120.88 36.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.122 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 118.17 8.11 10.74 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.515 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.729 ' HB2' HD21 ' A' ' 92' ' ' LEU . 0.7 OUTLIER -97.54 -175.28 3.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.757 0.313 . . . . 0.0 110.884 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.579 ' HG2' ' CE2' ' A' ' 39' ' ' TYR . 0.2 OUTLIER -122.61 123.07 40.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.916 -179.884 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.626 HG12 HD13 ' A' ' 92' ' ' LEU . 9.9 mt -93.95 121.45 44.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.536 HG23 HE22 ' A' ' 60' ' ' GLN . 0.0 OUTLIER -102.86 -19.91 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.122 179.857 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.461 ' HG2' ' N ' ' A' ' 64' ' ' ILE . 27.4 tt0 -138.2 153.65 49.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.461 ' N ' ' HG2' ' A' ' 63' ' ' GLU . 85.0 mt -145.9 123.46 4.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.126 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' A' ' 80' ' ' LEU . 27.6 m-20 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 6.7 mtm . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.873 0.368 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 75' ' ' ALA . 22.3 p -103.24 145.9 29.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.167 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.498 ' CE1' ' HA ' ' A' ' 29' ' ' ARG . 13.2 t-160 -34.25 -33.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.823 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 73' ' ' THR . . . -64.54 -53.78 42.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.111 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.507 ' CZ ' HD21 ' A' ' 80' ' ' LEU . 9.0 tpt180 -47.36 -53.56 13.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.834 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -53.26 -48.21 68.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.088 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 3.2 mm -62.15 -17.99 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -93.96 -33.29 13.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.507 HD21 ' CZ ' ' A' ' 76' ' ' ARG . 28.7 mt -66.85 -38.39 86.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.927 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 22.6 mt -61.0 -32.3 52.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -97.16 -12.86 22.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 30.3 t -80.89 -31.54 35.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -72.74 -33.39 60.44 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.486 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 124.32 -128.86 6.95 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.485 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.4 ' HG2' ' CB ' ' A' ' 19' ' ' LYS . 9.3 mtt-85 -95.71 -18.45 20.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.837 0.351 . . . . 0.0 110.929 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 28.6 mtt180 -109.55 122.88 48.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.491 HG22 HD23 ' A' ' 90' ' ' LEU . 12.5 p -124.7 134.78 65.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.157 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -128.48 121.05 28.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.491 HD23 HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -133.33 147.29 51.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.963 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.42 HD23 ' N ' ' A' ' 92' ' ' LEU . 1.3 tt -84.29 110.48 18.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.729 HD21 ' HB2' ' A' ' 59' ' ' ASP . 7.9 tp . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.608 ' CD1' ' O ' ' A' ' 92' ' ' LEU . 16.8 p90 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.987 0.422 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 70.7 p -102.64 160.13 14.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.173 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.469 HG21 ' HB3' ' A' ' 55' ' ' MET . 61.3 t -117.03 146.2 21.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.129 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -135.94 114.82 12.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.1 mtm -149.09 162.61 39.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -116.31 175.25 5.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.938 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.384 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.643 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -153.17 140.22 19.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.872 0.368 . . . . 0.0 110.865 -179.846 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.0 t -115.46 170.44 8.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.411 HG22 ' CD1' ' A' ' 61' ' ' ILE . 0.4 OUTLIER -135.15 169.83 20.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.111 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.447 ' HB3' HD23 ' A' ' 41' ' ' LEU . 6.5 ptp180 -146.13 171.21 15.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 66.16 -172.56 25.75 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.446 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 138.61 175.08 13.75 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.505 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.447 ' NE ' ' HA ' ' A' ' 32' ' ' ARG . 2.3 mmp_? -56.67 -14.77 3.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.765 0.317 . . . . 0.0 110.876 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -75.57 -34.13 60.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -110.34 13.52 22.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.84 48.91 17.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.3 ptm -153.79 161.59 41.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.486 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . 2.1 m-20 -66.72 170.73 6.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.886 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.6 mt -98.19 117.92 33.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.601 ' CE2' ' HG2' ' A' ' 60' ' ' GLN . 2.5 m-85 -117.29 168.43 10.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.963 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 38.7 t -81.67 109.38 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.164 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.55 HD13 ' C ' ' A' ' 41' ' ' LEU . 1.3 tm? -61.26 -59.42 5.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.943 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.464 ' HG2' ' N ' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -157.55 151.01 23.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.592 HD11 ' HA ' ' A' ' 56' ' ' ARG . 12.2 mt -105.41 151.08 24.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.0 117.59 25.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.806 ' HA ' HD13 ' A' ' 50' ' ' ILE . 12.2 pt-20 -62.93 -19.42 64.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -118.57 22.0 12.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -109.41 168.57 13.33 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.469 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -26.17 27.76 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.729 2.286 . . . . 0.0 112.313 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.88 -64.8 0.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.11 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.806 HD13 ' HA ' ' A' ' 45' ' ' GLU . 7.0 tt -49.03 -23.99 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 67.5 mtp180 -82.48 -30.04 30.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -59.44 -60.4 3.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.517 ' O ' ' N ' ' A' ' 55' ' ' MET . . . 99.36 -53.7 1.01 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.494 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.455 ' O ' ' CZ ' ' A' ' 13' ' ' PHE . 60.2 mtt85 -34.32 -32.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.819 0.343 . . . . 0.0 110.872 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.548 ' HB2' HD22 ' A' ' 92' ' ' LEU . 9.9 ptm -128.77 144.46 51.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.592 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.6 OUTLIER -134.65 -174.27 3.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 99.2 t -86.47 140.49 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 96.1 -16.72 60.61 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.511 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.919 ' CB ' HD21 ' A' ' 92' ' ' LEU . 43.3 m-20 -63.12 -179.17 0.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.776 0.322 . . . . 0.0 110.859 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.601 ' HG2' ' CE2' ' A' ' 39' ' ' TYR . 2.1 tm0? -123.44 121.58 36.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.595 HG12 HD13 ' A' ' 92' ' ' LEU . 7.9 mt -96.6 130.18 45.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.124 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.731 ' N ' HD13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -115.47 -14.74 10.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.136 179.838 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -139.54 151.19 45.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.501 HD13 ' HB1' ' A' ' 77' ' ' ALA . 62.9 mt -148.04 110.65 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.147 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 35.7 m-20 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.959 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 4.2 mtm . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.838 0.351 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.2 p -91.45 158.11 16.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.402 ' O ' HG12 ' A' ' 78' ' ' ILE . 18.6 t-160 -48.5 -32.68 8.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.75 -50.04 68.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.098 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.482 ' NE ' HD21 ' A' ' 80' ' ' LEU . 8.0 tpt180 -53.33 -61.84 2.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.501 ' HB1' HD13 ' A' ' 64' ' ' ILE . . . -46.03 -29.81 1.61 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.087 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.402 HG12 ' O ' ' A' ' 74' ' ' HIS . 4.6 mm -77.01 -30.99 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.152 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 76' ' ' ARG . 3.3 pt-20 -84.94 -23.13 28.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.482 HD21 ' NE ' ' A' ' 76' ' ' ARG . 64.2 mt -71.4 -41.3 69.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 16.1 mt -59.86 -31.1 46.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 11.4 ptpt -97.16 -14.54 21.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 31.7 t -82.07 -31.88 30.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -70.19 -41.18 70.2 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.512 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 133.8 -128.09 4.84 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.471 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.9 mtm-85 -97.87 -21.72 16.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.79 0.328 . . . . 0.0 110.886 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 53.3 mtm180 -109.5 122.8 48.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.617 HG22 HD23 ' A' ' 90' ' ' LEU . 10.4 p -123.78 143.81 35.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.148 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.409 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 21.9 ttm180 -135.95 115.25 12.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.617 HD23 HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -125.97 149.84 48.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.492 HD22 ' CG1' ' A' ' 62' ' ' ILE . 3.3 tt -86.94 112.73 22.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.933 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.919 HD21 ' CB ' ' A' ' 59' ' ' ASP . 11.9 tp . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.947 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.619 ' CD2' ' O ' ' A' ' 92' ' ' LEU . 17.5 p90 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.92 0.391 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 57.5 p -101.1 154.6 18.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.134 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.473 HG21 ' HB3' ' A' ' 55' ' ' MET . 69.0 t -109.0 143.39 19.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.152 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -136.18 106.18 6.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.442 ' HG3' HG12 ' A' ' 15' ' ' VAL . 3.2 mtm -141.95 179.79 6.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -123.51 169.73 11.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 86' ' ' ARG . 8.3 ttmm . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.658 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -153.2 139.4 18.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.861 0.362 . . . . 0.0 110.894 -179.856 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.489 ' HB3' ' CD ' ' A' ' 42' ' ' ARG . 47.7 t -114.9 170.27 8.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.887 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -132.64 169.95 20.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.155 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.44 ' HB3' HD23 ' A' ' 41' ' ' LEU . 1.7 ptp180 -149.33 170.91 17.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 69.38 -163.67 51.15 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.472 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 127.25 163.22 11.38 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.458 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.422 ' NE ' ' HA ' ' A' ' 32' ' ' ARG . 4.0 mmp_? -43.93 -27.44 0.36 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.789 0.328 . . . . 0.0 110.879 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.463 ' CD ' ' O ' ' A' ' 33' ' ' GLU . 0.4 OUTLIER -60.19 -41.59 93.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.917 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.46 ' CD1' ' OE1' ' A' ' 33' ' ' GLU . 6.0 m-85 -104.87 15.94 26.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.959 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 45.1 mmtt 55.2 46.9 22.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.894 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.5 ptm -152.4 160.09 43.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.489 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 0.8 OUTLIER -65.92 170.8 5.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.4 mt -96.13 119.2 34.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.581 ' CE2' ' HG2' ' A' ' 60' ' ' GLN . 2.0 m-85 -115.9 167.26 11.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 20.4 t -85.4 100.97 9.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.131 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.494 HD13 ' C ' ' A' ' 41' ' ' LEU . 1.1 tm? -46.88 -61.33 1.91 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.944 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.489 ' CD ' ' HB3' ' A' ' 27' ' ' SER . 0.0 OUTLIER -156.52 166.11 34.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.755 HD11 ' HA ' ' A' ' 56' ' ' ARG . 10.7 mt -115.78 150.2 37.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.956 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -88.22 115.76 25.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.094 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.87 ' HA ' HD13 ' A' ' 50' ' ' ILE . 1.9 pp20? -55.63 -28.35 54.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.428 ' O ' ' CG ' ' A' ' 46' ' ' ASP . 26.2 t70 -114.13 27.66 9.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -109.45 169.87 14.05 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.487 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -25.79 28.14 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.685 2.256 . . . . 0.0 112.337 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 52' ' ' ASN . . . -66.45 -67.46 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.117 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.87 HD13 ' HA ' ' A' ' 45' ' ' GLU . 6.6 tt -46.45 -23.52 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.071 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 56.5 mtp180 -87.38 -29.65 21.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 49' ' ' ALA . 0.3 OUTLIER -60.57 -60.28 4.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.501 ' O ' ' N ' ' A' ' 55' ' ' MET . . . 100.63 -54.07 0.87 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.482 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.565 ' O ' ' CE1' ' A' ' 13' ' ' PHE . 57.3 mtt-85 -35.2 -31.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.792 0.329 . . . . 0.0 110.837 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.501 ' N ' ' O ' ' A' ' 53' ' ' GLY . 4.8 ptm -132.88 145.19 50.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.755 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -141.15 164.34 30.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.908 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.432 HG12 ' H ' ' A' ' 57' ' ' VAL . 0.2 OUTLIER -69.34 133.66 31.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.128 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 105.38 12.41 27.01 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.479 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.778 ' CB ' HD21 ' A' ' 92' ' ' LEU . 1.1 m-20 -102.56 179.94 4.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.756 0.312 . . . . 0.0 110.873 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.581 ' HG2' ' CE2' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -122.22 119.88 32.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.645 HG12 HD13 ' A' ' 92' ' ' LEU . 9.7 mt -93.88 123.99 46.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.136 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.621 ' N ' HD13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -101.1 -26.35 3.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 179.847 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -134.96 156.57 48.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 82.4 mt -146.74 130.12 9.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.135 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.492 ' ND2' ' O ' ' A' ' 80' ' ' LEU . 2.0 m-20 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 5.2 mtm . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.859 0.361 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.485 ' O ' ' N ' ' A' ' 75' ' ' ALA . 17.2 p -100.81 148.71 24.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.441 ' C ' ' O ' ' A' ' 73' ' ' THR . 15.4 t-160 -34.65 -33.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 73' ' ' THR . . . -64.68 -54.25 34.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 73' ' ' THR . 8.9 tpp180 -48.93 -52.14 26.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.55 -46.71 66.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.071 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.447 HG22 ' O ' ' A' ' 78' ' ' ILE . 3.1 mm -63.7 -12.45 11.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.093 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 83' ' ' SER . 0.8 OUTLIER -95.43 -41.67 8.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.492 ' O ' ' ND2' ' A' ' 65' ' ' ASN . 61.4 mt -59.84 -37.7 79.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 23.4 mt -61.46 -34.21 60.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 5.1 ptpt -97.55 -17.71 19.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.956 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 79' ' ' GLU . 1.6 m -84.33 -13.47 52.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -86.39 -34.08 12.8 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.464 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 123.92 -141.23 13.35 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.492 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 19' ' ' LYS . 21.0 mtt180 -85.63 -21.31 28.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.781 0.324 . . . . 0.0 110.87 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -113.13 126.55 55.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.517 HG22 HD23 ' A' ' 90' ' ' LEU . 14.8 p -122.97 149.47 26.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.414 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 14.4 ttm180 -141.38 124.67 16.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.517 HD23 HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -137.17 148.46 46.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.516 HD23 ' N ' ' A' ' 92' ' ' LEU . 2.6 tt -83.39 117.08 22.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.924 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.778 HD21 ' CB ' ' A' ' 59' ' ' ASP . 7.7 tp . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.537 ' CD1' ' O ' ' A' ' 92' ' ' LEU . 50.8 p90 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.936 0.398 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 57.4 p -105.48 158.38 16.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.159 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 58.8 t -118.41 142.5 32.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -135.55 113.09 10.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.5 mtm -149.59 174.19 12.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -119.3 175.11 5.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 86' ' ' ARG . 21.2 ttmt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.651 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -152.7 138.94 18.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.853 0.359 . . . . 0.0 110.864 -179.832 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.0 t -113.17 172.13 7.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -135.61 170.62 18.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.096 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.607 ' HB3' HD23 ' A' ' 41' ' ' LEU . 9.3 ptt180 -150.9 169.21 22.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.904 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.21 -171.3 55.12 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.496 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 131.65 172.72 13.15 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.456 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -53.8 -22.4 9.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.756 0.312 . . . . 0.0 110.869 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -65.42 -35.68 81.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -109.37 3.76 21.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.938 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm 63.7 44.57 4.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.885 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.1 ptm -148.04 162.89 38.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.6 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 2.2 m-20 -67.26 171.02 6.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.0 mt -95.68 119.79 34.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.941 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.6 ' CE1' ' O ' ' A' ' 37' ' ' ASP . 0.5 OUTLIER -121.92 166.22 14.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.936 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 26.2 t -81.21 108.43 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.123 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.607 HD23 ' HB3' ' A' ' 29' ' ' ARG . 0.7 OUTLIER -57.74 -58.04 10.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.477 ' HG2' ' N ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -159.44 149.98 19.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.625 HD11 ' HA ' ' A' ' 56' ' ' ARG . 11.7 mt -103.0 151.24 22.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.956 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -86.36 117.81 25.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.764 ' HA ' HD13 ' A' ' 50' ' ' ILE . 13.0 pt-20 -59.56 -19.58 49.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -121.58 26.65 8.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -107.11 166.19 13.36 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.457 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -24.08 29.97 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.681 2.254 . . . . 0.0 112.359 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.59 -60.36 2.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.124 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.764 HD13 ' HA ' ' A' ' 45' ' ' GLU . 4.1 tt -52.1 -18.65 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 63.2 mtp85 -87.31 -25.58 23.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -64.57 -59.58 4.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.498 ' O ' ' CD ' ' A' ' 56' ' ' ARG . . . 102.69 -54.81 0.71 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.51 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.433 ' O ' ' CE2' ' A' ' 13' ' ' PHE . 54.1 mtt-85 -37.86 -34.56 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.821 0.343 . . . . 0.0 110.877 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 3.6 ptm -121.91 137.97 54.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.625 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -132.2 176.4 8.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.843 -179.904 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.407 HG12 HD12 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -85.77 123.47 39.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.148 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 117.37 -0.99 18.75 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.859 ' HB2' HD21 ' A' ' 92' ' ' LEU . 1.2 m-20 -88.68 170.26 10.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.78 0.324 . . . . 0.0 110.903 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.495 ' NE2' ' O ' ' A' ' 61' ' ' ILE . 9.2 tm0? -112.25 120.9 43.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.604 HG12 HD13 ' A' ' 92' ' ' LEU . 19.5 mt -89.72 129.83 40.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.465 ' N ' HD13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -112.81 -14.51 10.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.144 179.855 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.469 ' HB3' ' CB ' ' A' ' 91' ' ' LEU . 29.8 tt0 -140.34 158.22 44.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 85.7 mt -146.21 134.3 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.134 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.502 ' ND2' ' O ' ' A' ' 80' ' ' LEU . 31.2 m-20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 5.6 mtm . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.835 0.35 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 75' ' ' ALA . 81.9 p -92.37 147.5 22.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.172 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 18.8 t-160 -38.66 -27.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.864 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 73' ' ' THR . . . -69.38 -52.57 25.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -47.24 -51.73 17.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.06 -45.76 75.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.557 ' HA ' HD12 ' A' ' 81' ' ' ILE . 3.1 mm -64.6 -12.92 13.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -91.92 -42.06 10.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.502 ' O ' ' ND2' ' A' ' 65' ' ' ASN . 75.7 mt -62.67 -40.77 98.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.942 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.557 HD12 ' HA ' ' A' ' 78' ' ' ILE . 23.8 mt -55.85 -34.37 37.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -97.62 -16.59 19.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.3 t -77.36 -32.13 54.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -68.76 -40.77 85.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.496 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 127.71 -142.97 13.98 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.474 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.495 ' O ' ' N ' ' A' ' 19' ' ' LYS . 47.4 mtt180 -79.02 -18.78 52.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.853 0.358 . . . . 0.0 110.862 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 -115.08 128.03 55.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.543 HG22 HD23 ' A' ' 90' ' ' LEU . 13.7 p -124.28 146.93 29.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.466 ' O ' ' N ' ' A' ' 65' ' ' ASN . 12.5 ttm180 -141.29 121.89 14.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.543 HD23 HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -134.1 148.34 50.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.52 ' C ' HD23 ' A' ' 91' ' ' LEU . 4.0 tt -84.97 107.03 16.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.859 HD21 ' HB2' ' A' ' 59' ' ' ASP . 8.0 tp . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.608 ' CD1' ' O ' ' A' ' 92' ' ' LEU . 19.7 p90 . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.874 0.369 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 41.3 p -99.37 158.74 15.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.12 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 97.8 t -118.7 142.26 34.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -135.52 119.4 17.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.83 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.2 mtm -153.54 170.54 20.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.824 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -115.18 173.96 6.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.513 ' N ' ' O ' ' A' ' 86' ' ' ARG . 6.9 ttpp . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.923 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.662 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -153.29 132.34 12.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.352 . . . . 0.0 110.878 -179.841 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.9 t -110.28 165.86 11.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -128.66 170.1 18.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.513 ' HB3' HD23 ' A' ' 41' ' ' LEU . 7.5 ptp85 -147.69 167.95 23.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.81 -169.09 54.94 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.476 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 131.35 164.57 11.21 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.468 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.0 mmm180 -48.2 -24.39 1.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.803 0.335 . . . . 0.0 110.855 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -65.98 -37.48 86.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -107.23 13.97 26.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm 53.9 50.43 16.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.913 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.4 ptm -154.94 162.84 40.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.81 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.59 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 0.2 OUTLIER -70.88 169.44 14.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 179.931 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.6 mt -93.19 120.7 33.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.59 ' CE1' ' O ' ' A' ' 37' ' ' ASP . 1.2 m-85 -124.34 166.97 15.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 48.2 t -79.83 113.66 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.108 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.538 HD13 ' C ' ' A' ' 41' ' ' LEU . 1.7 tm? -67.01 -55.81 12.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.464 ' HG2' ' N ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -158.37 150.35 21.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.614 HD11 ' HA ' ' A' ' 56' ' ' ARG . 11.5 mt -104.07 150.99 23.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -88.72 115.55 26.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.824 ' HA ' HD13 ' A' ' 50' ' ' ILE . 5.1 pt-20 -59.32 -24.35 63.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -119.17 32.86 5.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -117.21 169.77 13.24 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -22.26 32.56 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.661 2.241 . . . . 0.0 112.328 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.417 ' CB ' ' HB3' ' A' ' 26' ' ' PHE . . . -68.99 -66.11 0.62 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.058 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.824 HD13 ' HA ' ' A' ' 45' ' ' GLU . 6.4 tt -48.83 -23.93 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.119 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 47.6 mtp180 -81.9 -29.62 32.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.402 ' ND2' ' H ' ' A' ' 55' ' ' MET . 0.4 OUTLIER -59.99 -55.2 36.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 55' ' ' MET . . . 93.2 -52.6 2.48 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.503 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.454 ' O ' ' CE2' ' A' ' 13' ' ' PHE . 21.2 mmt180 -38.93 -28.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.805 0.336 . . . . 0.0 110.836 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.532 ' HB2' HD22 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -127.81 142.09 51.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.614 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -140.13 -175.73 4.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.9 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 57.9 t -83.64 140.35 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.061 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 97.36 14.53 41.21 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.44 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.72 ' HB2' HD21 ' A' ' 92' ' ' LEU . 14.8 m-20 -103.62 173.29 6.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.757 0.313 . . . . 0.0 110.871 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.501 ' NE2' ' O ' ' A' ' 61' ' ' ILE . 7.3 tm0? -122.86 119.88 31.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.948 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.54 HG12 HD13 ' A' ' 92' ' ' LEU . 8.7 mt -87.16 125.28 40.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.674 ' N ' HD13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -102.02 -38.37 5.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.177 179.848 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -124.65 157.21 36.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 93.7 mt -137.07 134.92 47.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.133 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 80' ' ' LEU . 29.0 m-20 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.9 mtm . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.828 0.347 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 75' ' ' ALA . 45.1 p -108.57 147.87 31.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.147 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.443 ' CE1' ' HA ' ' A' ' 29' ' ' ARG . 13.7 t-160 -36.17 -31.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 73' ' ' THR . . . -67.18 -49.26 65.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 73' ' ' THR . 5.8 tpt180 -51.16 -52.15 46.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.921 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.14 -50.11 67.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.417 ' HA ' HD12 ' A' ' 81' ' ' ILE . 3.0 mm -59.41 -15.9 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.15 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 83' ' ' SER . 0.6 OUTLIER -90.77 -42.63 10.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.45 ' O ' ' ND2' ' A' ' 65' ' ' ASN . 78.2 mt -60.62 -38.44 84.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.417 HD12 ' HA ' ' A' ' 78' ' ' ILE . 25.1 mt -61.16 -33.38 55.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.161 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -97.83 -18.69 18.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 79' ' ' GLU . 33.9 t -74.74 -34.13 62.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -69.72 -41.39 74.5 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.484 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 127.73 -138.88 10.73 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.542 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.513 ' O ' ' N ' ' A' ' 19' ' ' LYS . 28.0 mtt180 -82.86 -23.42 33.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.852 0.358 . . . . 0.0 110.914 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 46.7 mtp180 -109.74 123.09 48.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.612 HG22 HD23 ' A' ' 90' ' ' LEU . 12.9 p -123.6 148.73 27.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.426 ' O ' ' N ' ' A' ' 65' ' ' ASN . 14.1 ttm180 -140.91 113.74 8.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.849 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.612 HD23 HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -127.77 148.16 50.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.912 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.476 HD22 ' CG1' ' A' ' 62' ' ' ILE . 2.7 tt -85.41 112.01 20.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.72 HD21 ' HB2' ' A' ' 59' ' ' ASP . 8.9 tp . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.608 ' CD2' ' O ' ' A' ' 92' ' ' LEU . 26.6 p90 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.952 0.405 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 76.5 p -97.0 164.29 12.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.125 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.404 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 35.3 t -123.85 146.13 29.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -135.75 117.44 14.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.7 mtm -149.42 176.98 10.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -121.43 169.56 10.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 86' ' ' ARG . 7.3 ttmm . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.942 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.656 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -153.28 143.63 22.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.825 0.345 . . . . 0.0 110.91 -179.889 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.7 t -122.18 162.44 21.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -122.8 169.72 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.154 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.487 ' HA ' ' CE1' ' A' ' 74' ' ' HIS . 3.6 ptp180 -147.6 160.16 42.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 82.97 -161.88 40.25 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.424 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 124.7 179.17 15.62 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.514 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -58.74 -20.92 53.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.797 0.332 . . . . 0.0 110.862 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -67.84 -34.85 77.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -111.71 11.25 21.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 56.42 49.12 15.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.91 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.6 ptm -153.46 159.99 42.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.457 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 62.9 m-20 -65.38 169.7 5.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.2 mt -94.35 116.67 29.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.457 ' CE1' ' O ' ' A' ' 37' ' ' ASP . 2.9 m-85 -113.62 165.18 12.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.8 t -81.19 95.94 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.622 HD13 ' C ' ' A' ' 41' ' ' LEU . 2.0 tm? -45.49 -62.62 1.2 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.955 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.484 ' HD2' ' N ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -153.83 175.68 13.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 179.892 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.484 ' N ' ' HD2' ' A' ' 42' ' ' ARG . 12.8 mt -127.34 150.51 49.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.01 120.6 28.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.049 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.759 ' HA ' HD13 ' A' ' 50' ' ' ILE . 14.6 pt-20 -59.64 -26.54 65.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -116.39 31.33 6.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.843 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -112.66 169.06 12.83 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.478 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -25.9 28.15 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.695 2.263 . . . . 0.0 112.375 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 52' ' ' ASN . . . -65.93 -67.05 0.47 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.759 HD13 ' HA ' ' A' ' 45' ' ' GLU . 6.6 tt -46.13 -23.08 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.162 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -85.83 -31.29 22.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 49' ' ' ALA . 0.3 OUTLIER -58.98 -60.49 3.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.502 ' O ' ' N ' ' A' ' 55' ' ' MET . . . 100.61 -54.03 0.88 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.433 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.467 ' C ' ' O ' ' A' ' 53' ' ' GLY . 10.2 mmp_? -32.17 -36.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.784 0.326 . . . . 0.0 110.809 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.502 ' N ' ' O ' ' A' ' 53' ' ' GLY . 6.1 ptm -123.35 144.41 49.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.408 ' CD ' ' O ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -138.13 -178.98 5.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 -179.891 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 92.9 t -79.91 130.99 35.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.135 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 100.45 30.66 6.13 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.454 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.854 ' CB ' HD21 ' A' ' 92' ' ' LEU . 4.5 m-20 -115.62 173.62 6.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.729 0.3 . . . . 0.0 110.851 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -121.56 117.29 26.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.55 HG12 HD13 ' A' ' 92' ' ' LEU . 13.8 mt -86.97 120.51 36.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.604 ' N ' HD13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -98.32 -30.49 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.1 179.88 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -129.74 148.42 51.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 57.8 mt -139.84 109.16 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.155 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 80' ' ' LEU . 30.0 m-20 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 9.5 mtm . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.908 0.385 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.456 ' O ' ' C ' ' A' ' 74' ' ' HIS . 25.3 p -98.95 143.73 28.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.487 ' CE1' ' HA ' ' A' ' 29' ' ' ARG . 11.3 t-160 -33.89 -36.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 73' ' ' THR . . . -63.99 -52.56 59.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.083 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 73' ' ' THR . 10.5 tpt180 -48.44 -48.51 37.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.88 -48.84 77.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.458 ' HA ' HD12 ' A' ' 81' ' ' ILE . 3.4 mm -61.56 -13.05 7.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.155 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -92.02 -41.07 10.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.497 ' O ' ' ND2' ' A' ' 65' ' ' ASN . 82.5 mt -63.83 -40.69 97.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.458 HD12 ' HA ' ' A' ' 78' ' ' ILE . 39.9 mt -54.71 -35.42 32.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.104 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -97.99 -14.73 20.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.0 t -73.92 -33.62 64.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.812 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -69.59 -36.63 76.67 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.514 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 129.7 -131.66 6.75 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.504 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 19' ' ' LYS . 24.8 mtt180 -91.16 -17.49 26.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.806 0.336 . . . . 0.0 110.877 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 34.2 mtm180 -116.89 124.94 50.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.618 HG22 HD23 ' A' ' 90' ' ' LEU . 12.1 p -119.92 144.58 28.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.404 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 30.8 ttt180 -135.06 111.75 10.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.618 HD23 HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -123.99 148.51 46.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.464 HD23 ' N ' ' A' ' 92' ' ' LEU . 3.4 tt -86.8 116.97 25.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.854 HD21 ' CB ' ' A' ' 59' ' ' ASP . 7.0 tp . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.577 ' CE1' ' O ' ' A' ' 54' ' ' ARG . 11.8 p90 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.958 0.409 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -91.18 165.58 13.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.158 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.469 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 37.6 t -136.07 138.1 47.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.143 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -136.25 121.18 18.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.41 ' SD ' ' HA ' ' A' ' 49' ' ' ALA . 3.7 mtm -148.3 167.58 24.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -106.93 173.31 6.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.822 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.0 ttmt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 179.984 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.65 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -153.02 143.44 22.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.871 0.367 . . . . 0.0 110.903 -179.883 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.458 ' HB3' ' CD ' ' A' ' 42' ' ' ARG . 38.0 t -118.99 172.03 7.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -179.784 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.502 HG22 HD12 ' A' ' 61' ' ' ILE . 0.5 OUTLIER -133.5 169.22 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.139 179.904 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.62 ' HB3' HD23 ' A' ' 41' ' ' LEU . 4.8 ptp180 -151.36 169.54 21.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.14 -176.71 46.62 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.496 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 134.97 175.88 14.08 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.533 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 -54.3 -24.57 19.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.786 0.327 . . . . 0.0 110.91 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -66.0 -36.59 83.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -109.44 14.15 23.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.957 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 51.94 48.88 21.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.906 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.8 ptm -151.95 166.19 32.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.551 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 0.8 OUTLIER -70.62 171.43 10.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.4 mt -95.79 128.68 42.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.603 ' CE2' ' HG3' ' A' ' 60' ' ' GLN . 1.6 m-85 -129.38 167.91 17.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.471 ' O ' HG13 ' A' ' 57' ' ' VAL . 90.4 t -85.32 98.85 6.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.171 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.62 HD23 ' HB3' ' A' ' 29' ' ' ARG . 0.4 OUTLIER -43.41 -64.57 0.62 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.458 ' CD ' ' HB3' ' A' ' 27' ' ' SER . 0.0 OUTLIER -155.23 165.9 35.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.645 HD21 ' SD ' ' A' ' 55' ' ' MET . 12.2 mt -115.0 150.86 35.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.31 118.45 28.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.831 ' HA ' HD13 ' A' ' 50' ' ' ILE . 14.1 pt-20 -57.76 -29.47 64.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.904 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -113.56 30.09 7.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -113.38 166.58 12.16 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.456 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -24.92 28.88 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.679 2.253 . . . . 0.0 112.316 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.475 ' CB ' ' HB3' ' A' ' 26' ' ' PHE . . . -66.9 -58.4 5.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.831 HD13 ' HA ' ' A' ' 45' ' ' GLU . 8.2 tt -56.12 -14.34 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 40.5 mtp180 -93.61 -19.67 20.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.512 ' ND2' ' H ' ' A' ' 55' ' ' MET . 0.7 OUTLIER -67.39 -54.5 19.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.443 ' O ' ' CD ' ' A' ' 56' ' ' ARG . . . 94.95 -52.63 1.92 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.484 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.577 ' O ' ' CE1' ' A' ' 13' ' ' PHE . 17.9 mmt180 -45.34 -27.76 0.73 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.861 0.363 . . . . 0.0 110.909 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.645 ' SD ' HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -120.87 139.68 52.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 179.93 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.575 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -137.43 -175.23 3.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.859 -179.917 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.471 HG13 ' O ' ' A' ' 40' ' ' VAL . 61.5 t -93.52 111.32 24.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 135.23 -19.76 3.83 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.498 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.604 ' HB2' HD21 ' A' ' 92' ' ' LEU . 1.5 m-20 -74.05 176.68 6.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.792 0.329 . . . . 0.0 110.828 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.603 ' HG3' ' CE2' ' A' ' 39' ' ' TYR . 2.0 tt0 -121.17 120.73 36.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.899 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.502 HD12 HG22 ' A' ' 28' ' ' ILE . 17.1 mt -82.75 117.08 28.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.139 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.522 HD13 ' O ' ' A' ' 60' ' ' GLN . 0.0 OUTLIER -103.14 -20.61 5.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 179.861 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -132.31 150.07 52.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.445 ' O ' ' C ' ' A' ' 65' ' ' ASN . 97.1 mt -141.75 127.27 18.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.124 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.554 ' ND2' HG23 ' A' ' 88' ' ' VAL . 22.6 m-20 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 6.3 mtm . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.855 0.359 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 76' ' ' ARG . 79.6 p -106.49 145.38 31.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.167 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.439 ' C ' ' O ' ' A' ' 73' ' ' THR . 20.9 t-160 -35.37 -35.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 73' ' ' THR . . . -59.67 -47.89 83.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.111 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.517 ' NE ' HD21 ' A' ' 80' ' ' LEU . 9.2 tpt180 -55.5 -62.33 1.75 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -46.95 -28.62 1.68 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.074 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 5.9 mm -78.56 -30.99 15.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -85.6 -23.15 27.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.517 HD21 ' NE ' ' A' ' 76' ' ' ARG . 32.0 mt -70.42 -40.12 74.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.943 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 17.2 mt -62.0 -30.59 48.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.18 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.0 ptpt -97.06 -14.52 21.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 26.4 t -78.63 -31.58 47.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.832 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -69.39 -40.5 79.88 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.463 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 127.97 -132.77 7.53 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.505 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 30.7 mtt85 -87.91 -16.84 32.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.855 0.36 . . . . 0.0 110.927 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 25.6 mtm-85 -115.59 127.14 55.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.582 HG22 HD23 ' A' ' 90' ' ' LEU . 12.4 p -125.08 144.2 35.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.124 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.545 ' O ' ' N ' ' A' ' 65' ' ' ASN . 62.1 mtt85 -137.69 123.82 20.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.582 HD23 HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -138.56 148.62 44.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.576 ' C ' HD23 ' A' ' 91' ' ' LEU . 1.8 tt -88.83 109.98 20.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.604 HD21 ' HB2' ' A' ' 59' ' ' ASP . 9.2 tp . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.936 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.596 ' CE1' ' O ' ' A' ' 54' ' ' ARG . 9.1 p90 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.909 0.385 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 69.8 p -91.86 163.4 14.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.143 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 62.8 t -122.1 141.91 40.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.144 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -135.57 112.68 10.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.6 mtm -146.39 -179.99 7.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -125.06 175.33 7.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.891 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.422 ' NZ ' ' HA ' ' A' ' 82' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.925 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.511 -0.235 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.666 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -153.61 137.28 16.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.834 0.35 . . . . 0.0 110.844 -179.855 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.4 t -117.5 161.53 19.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -122.15 170.43 12.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.162 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -146.49 161.29 40.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.92 -164.85 50.52 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.449 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 131.1 179.43 16.11 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.5 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -61.48 -21.47 64.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.78 0.324 . . . . 0.0 110.9 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -67.78 -33.24 74.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -110.62 7.37 22.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.896 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 60.34 49.14 7.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.2 ptm -153.8 160.72 42.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.533 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 0.7 OUTLIER -67.13 171.51 5.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.408 ' HA ' ' O ' ' A' ' 29' ' ' ARG . 9.1 mt -94.95 120.52 35.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.533 ' CE1' ' O ' ' A' ' 37' ' ' ASP . 1.8 m-85 -121.34 158.99 27.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.945 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.4 t -71.96 108.98 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.138 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.574 HD13 ' C ' ' A' ' 41' ' ' LEU . 2.0 tm? -63.06 -57.86 9.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.499 ' HG2' ' N ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -156.17 154.67 31.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.499 ' N ' ' HG2' ' A' ' 42' ' ' ARG . 9.7 mt -113.32 139.47 48.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.75 113.99 19.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.076 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.844 ' HA ' HD13 ' A' ' 50' ' ' ILE . 11.5 pt-20 -59.91 -18.85 47.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -115.57 21.02 14.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.83 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -106.92 168.53 14.41 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.493 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -17.58 37.38 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.714 2.276 . . . . 0.0 112.319 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 52' ' ' ASN . . . -71.25 -69.46 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.105 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.844 HD13 ' HA ' ' A' ' 45' ' ' GLU . 4.9 tt -43.58 -25.67 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 53.2 mtp180 -78.65 -36.71 43.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 49' ' ' ALA . 0.2 OUTLIER -57.77 -60.5 3.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.502 ' O ' ' N ' ' A' ' 55' ' ' MET . . . 100.83 -52.46 0.92 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.457 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.596 ' O ' ' CE1' ' A' ' 13' ' ' PHE . 37.3 mmt-85 -34.3 -32.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.803 0.335 . . . . 0.0 110.86 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.502 ' N ' ' O ' ' A' ' 53' ' ' GLY . 13.7 ptm -122.67 146.51 47.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.69 -175.45 3.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.454 ' CG2' ' HB2' ' A' ' 43' ' ' LEU . 82.1 t -86.65 146.12 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.107 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 77.62 28.95 56.37 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.477 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.69 ' CB ' HD21 ' A' ' 92' ' ' LEU . 2.2 t0 -105.53 166.04 10.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.768 0.318 . . . . 0.0 110.863 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.492 ' NE2' ' O ' ' A' ' 61' ' ' ILE . 1.5 tm0? -109.58 113.21 25.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.564 HG12 HD13 ' A' ' 92' ' ' LEU . 43.7 mt -85.45 126.97 40.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.656 ' N ' HD13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -104.58 -24.93 3.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 179.9 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.501 ' HB3' ' CB ' ' A' ' 91' ' ' LEU . 28.3 tt0 -132.29 150.88 52.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.437 ' N ' ' HG2' ' A' ' 63' ' ' GLU . 96.6 mt -146.18 105.16 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 80' ' ' LEU . 26.6 m-20 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.4 mtm . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.804 0.335 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 41.4 p -95.45 151.22 19.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.15 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 14.4 t-160 -39.11 -39.26 0.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.24 -53.86 52.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.083 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -47.97 -54.32 13.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.76 -44.78 66.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.122 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.405 HG22 ' O ' ' A' ' 78' ' ' ILE . 2.9 mm -67.38 -14.57 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -94.85 -32.95 13.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.496 ' O ' ' ND2' ' A' ' 65' ' ' ASN . 26.7 mt -68.62 -41.47 79.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.966 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 28.5 mt -56.77 -35.0 44.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.109 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.422 ' HA ' ' NZ ' ' A' ' 19' ' ' LYS . 2.3 ptpt -97.17 -13.58 22.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.9 t -73.18 -36.28 66.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.822 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -70.85 -36.29 65.79 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.526 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.417 ' O ' ' NZ ' ' A' ' 19' ' ' LYS . . . 132.02 -129.51 5.62 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.485 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 12.3 mtm180 -94.83 -19.27 20.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.864 0.364 . . . . 0.0 110.909 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 39.5 mtp180 -109.56 123.41 49.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.614 HG22 HD23 ' A' ' 90' ' ' LEU . 13.0 p -122.78 148.85 26.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.137 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.407 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 12.7 ttt180 -141.02 115.17 9.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.846 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.614 HD23 HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -128.83 147.15 50.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.504 HD23 ' N ' ' A' ' 92' ' ' LEU . 3.8 tt -86.25 115.35 23.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.69 HD21 ' CB ' ' A' ' 59' ' ' ASP . 8.4 tp . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.598 ' CD2' ' O ' ' A' ' 92' ' ' LEU . 17.7 p90 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.922 0.392 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.407 HG21 HH21 ' A' ' 89' ' ' ARG . 46.2 p -98.9 155.29 17.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.109 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 72.6 t -113.59 143.79 22.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -136.12 113.81 11.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.829 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.3 mtm -148.9 175.57 11.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -120.63 174.91 6.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.502 ' N ' ' O ' ' A' ' 86' ' ' ARG . 21.1 ttmt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.647 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -153.05 140.18 19.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.829 0.347 . . . . 0.0 110.867 -179.831 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.418 ' HB3' ' HB3' ' A' ' 41' ' ' LEU . 1.2 t -116.72 166.68 11.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -128.7 170.35 18.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.086 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.542 ' HA ' ' CE1' ' A' ' 74' ' ' HIS . 10.4 ptt180 -150.84 169.29 22.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.825 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.96 -163.15 54.94 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.441 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 126.08 165.21 11.97 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.466 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -43.26 -34.6 1.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.761 0.315 . . . . 0.0 110.882 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -54.36 -41.01 68.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.927 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -106.1 19.75 20.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.922 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.9 mmtp 49.16 50.29 18.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 4.0 ptm -154.81 159.77 40.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.476 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 2.1 m-20 -66.69 171.31 5.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.408 HD13 ' CD1' ' A' ' 64' ' ' ILE . 6.3 mt -95.93 117.94 31.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.476 ' CE1' ' O ' ' A' ' 37' ' ' ASP . 1.2 m-85 -118.37 165.96 13.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.909 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.512 HG12 HG23 ' A' ' 57' ' ' VAL . 99.0 t -81.23 111.48 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.123 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.486 HD13 ' C ' ' A' ' 41' ' ' LEU . 1.8 tm? -62.15 -55.83 24.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.509 ' HA ' HG21 ' A' ' 57' ' ' VAL . 0.1 OUTLIER -155.7 152.22 28.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.478 HD11 ' HA ' ' A' ' 56' ' ' ARG . 7.6 mt -110.25 140.56 44.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -78.09 119.31 21.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.051 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.841 ' HA ' HD13 ' A' ' 50' ' ' ILE . 6.2 pt-20 -63.55 -23.5 67.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -116.51 25.66 10.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -106.73 170.78 16.41 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.426 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -28.25 25.65 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.674 2.25 . . . . 0.0 112.361 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 52' ' ' ASN . . . -63.81 -68.61 0.33 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.089 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.841 HD13 ' HA ' ' A' ' 45' ' ' GLU . 6.0 tt -44.33 -25.05 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.149 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 66.0 mtp85 -81.92 -33.81 30.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 49' ' ' ALA . 0.3 OUTLIER -58.83 -56.07 26.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' A' ' 55' ' ' MET . . . 95.56 -54.15 1.73 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.512 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.555 ' O ' ' CE1' ' A' ' 13' ' ' PHE . 48.4 mmt-85 -35.75 -31.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.832 0.349 . . . . 0.0 110.863 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.499 ' N ' ' O ' ' A' ' 53' ' ' GLY . 2.4 ptm -128.23 140.11 52.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.478 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -130.71 171.2 13.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.929 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.512 HG23 HG12 ' A' ' 40' ' ' VAL . 6.6 p -83.13 138.91 18.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 103.52 -9.39 52.84 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.494 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.777 ' HB2' HD21 ' A' ' 92' ' ' LEU . 23.2 m-20 -77.77 -174.75 3.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.742 0.305 . . . . 0.0 110.904 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.499 ' NE2' ' O ' ' A' ' 61' ' ' ILE . 10.2 tm0? -123.28 115.12 21.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.584 HG12 HD13 ' A' ' 92' ' ' LEU . 21.8 mt -84.01 122.53 37.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.099 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.675 ' N ' HD13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -98.5 -31.82 3.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.846 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.403 ' HG2' ' N ' ' A' ' 64' ' ' ILE . 29.3 tt0 -131.74 150.45 52.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.927 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.408 ' CD1' HD13 ' A' ' 38' ' ' LEU . 43.4 mt -139.19 114.91 8.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.13 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.486 ' ND2' ' O ' ' A' ' 80' ' ' LEU . 29.2 m-20 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 6.5 mtm . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.922 0.391 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.433 ' O ' ' C ' ' A' ' 74' ' ' HIS . 33.7 p -105.76 147.55 28.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.2 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.542 ' CE1' ' HA ' ' A' ' 29' ' ' ARG . 12.7 t-160 -35.19 -41.85 0.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.815 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.66 -49.76 75.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 73' ' ' THR . 6.4 tpt180 -54.78 -63.18 1.23 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -43.97 -37.65 3.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.055 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 7.5 mm -66.16 -33.53 64.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.102 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 76' ' ' ARG . 2.1 pt-20 -81.96 -26.44 33.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.486 ' O ' ' ND2' ' A' ' 65' ' ' ASN . 92.5 mt -67.31 -42.41 83.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.94 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 20.0 mt -59.86 -30.1 44.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.145 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.6 ptpt -97.8 -17.97 19.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.1 t -73.19 -36.05 66.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -67.84 -41.92 87.41 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.497 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 131.44 -134.7 7.81 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.5 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.502 ' O ' ' N ' ' A' ' 19' ' ' LYS . 19.7 mtt-85 -88.18 -18.31 29.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.827 0.346 . . . . 0.0 110.881 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 81.5 mtt180 -113.68 123.09 49.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.591 HG22 HD23 ' A' ' 90' ' ' LEU . 12.5 p -119.55 149.27 22.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.407 HH21 HG21 ' A' ' 14' ' ' THR . 26.8 ttt85 -141.39 114.48 8.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.591 HD23 HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -129.34 148.91 51.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.453 HD22 ' CG1' ' A' ' 62' ' ' ILE . 3.1 tt -87.8 114.56 24.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.777 HD21 ' HB2' ' A' ' 59' ' ' ASP . 8.4 tp . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.596 ' CD1' ' O ' ' A' ' 92' ' ' LEU . 22.4 p90 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.944 0.402 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.824 HG21 HH21 ' A' ' 89' ' ' ARG . 64.5 p -91.87 160.35 15.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.148 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 57.8 t -118.48 148.49 21.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.185 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -136.21 118.5 15.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.526 ' HE1' ' CD2' ' A' ' 26' ' ' PHE . 3.8 mtm -152.22 169.06 23.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.415 ' CG ' ' HG2' ' A' ' 87' ' ' ARG . 6.2 mt-10 -121.18 175.01 6.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 86' ' ' ARG . 2.5 ttmm . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.646 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -153.2 143.85 22.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.837 0.351 . . . . 0.0 110.91 -179.868 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 14.0 t -122.36 159.41 27.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.458 HG22 ' CD1' ' A' ' 61' ' ' ILE . 0.7 OUTLIER -118.63 169.96 8.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.112 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -146.08 165.55 28.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.838 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.03 -168.62 54.81 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.507 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 131.21 171.87 12.98 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.494 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -51.86 -28.1 14.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.755 0.312 . . . . 0.0 110.877 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -62.12 -37.93 86.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.927 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -106.93 9.69 30.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.0 mmtm 55.98 48.77 17.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.3 ptm -151.25 162.72 40.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.545 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 6.0 m-20 -67.85 168.53 11.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.87 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.4 mt -94.22 119.94 33.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.545 ' CE1' ' O ' ' A' ' 37' ' ' ASP . 2.0 m-85 -120.47 168.3 11.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 77.4 t -82.08 97.96 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.104 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.645 HD13 ' C ' ' A' ' 41' ' ' LEU . 1.5 tm? -48.03 -64.36 0.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.425 ' C ' ' HD2' ' A' ' 42' ' ' ARG . 0.3 OUTLIER -149.82 177.32 9.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.755 HD11 ' HA ' ' A' ' 56' ' ' ARG . 11.4 mt -130.46 151.1 51.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -91.17 114.26 26.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.119 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.731 ' HA ' HD13 ' A' ' 50' ' ' ILE . 1.0 OUTLIER -55.65 -26.01 42.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.916 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -111.96 22.03 15.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -103.47 162.88 15.67 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.504 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -23.84 30.42 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.709 2.273 . . . . 0.0 112.36 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.87 -61.5 1.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.09 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.731 HD13 ' HA ' ' A' ' 45' ' ' GLU . 9.8 tt -51.85 -17.91 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 -87.31 -29.16 21.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.924 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.578 ' ND2' ' H ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -61.73 -60.37 3.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.578 ' H ' ' ND2' ' A' ' 52' ' ' ASN . . . 108.94 -49.89 0.82 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.462 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.477 ' C ' ' O ' ' A' ' 53' ' ' GLY . 26.0 mmt85 -31.92 -69.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.851 0.358 . . . . 0.0 110.885 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.67 ' HB2' HD22 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -87.32 173.69 9.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.755 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.7 OUTLIER -175.58 -175.77 0.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 31.2 t -81.55 128.11 39.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 110.37 -9.55 30.84 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.486 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.929 ' CB ' HD21 ' A' ' 92' ' ' LEU . 56.2 m-20 -83.39 169.5 15.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.803 0.335 . . . . 0.0 110.852 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.499 ' NE2' ' O ' ' A' ' 61' ' ' ILE . 3.8 tm0? -123.34 114.25 19.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.569 HG12 HD13 ' A' ' 92' ' ' LEU . 5.8 mt -80.7 125.2 39.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.559 ' N ' HD13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -103.55 -29.64 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.138 179.838 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.478 ' HG2' ' N ' ' A' ' 64' ' ' ILE . 11.7 tt0 -135.89 150.73 49.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.478 ' N ' ' HG2' ' A' ' 63' ' ' GLU . 96.5 mt -137.2 124.12 29.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 179.952 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 5.1 mtm . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.855 0.36 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 76' ' ' ARG . 46.8 p -100.36 143.95 29.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.18 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.452 ' C ' ' O ' ' A' ' 73' ' ' THR . 17.3 t-160 -34.28 -38.57 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.834 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.78 -49.21 78.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.139 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 73' ' ' THR . 7.4 tpt180 -55.16 -62.45 1.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -45.79 -31.93 2.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.079 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 6.5 mm -72.77 -32.06 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -82.88 -23.98 33.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 45.3 mt -70.37 -40.85 73.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.42 HG23 HG21 ' A' ' 88' ' ' VAL . 18.8 mt -61.47 -30.21 47.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.9 ptpt -97.26 -16.61 20.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 29.7 t -75.82 -29.84 58.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -70.47 -44.96 56.76 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.437 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 133.61 -149.88 19.78 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.463 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 19' ' ' LYS . 8.6 mtm-85 -69.1 -28.29 66.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 0.0 110.908 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.415 ' HG2' ' CG ' ' A' ' 18' ' ' GLU . 76.2 mtt180 -109.74 126.17 53.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.737 HG22 HD23 ' A' ' 90' ' ' LEU . 7.6 p -120.07 136.53 56.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.159 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.824 HH21 HG21 ' A' ' 14' ' ' THR . 45.2 ttt180 -130.57 112.69 13.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.737 HD23 HG22 ' A' ' 88' ' ' VAL . 0.1 OUTLIER -123.38 148.94 45.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.467 ' CB ' ' HB3' ' A' ' 63' ' ' GLU . 1.3 tt -86.25 106.6 17.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.929 HD21 ' CB ' ' A' ' 59' ' ' ASP . 6.9 tp . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -105.21 161.57 14.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.922 0.391 . . . . 0.0 110.837 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.0 m -151.68 137.47 18.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.837 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.29 134.73 2.04 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.538 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 m -72.73 170.55 14.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.842 0.353 . . . . 0.0 110.833 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.6 p -98.97 133.07 43.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.12 88.95 2.02 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.45 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -80.39 83.37 6.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.813 0.34 . . . . 0.0 110.899 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.52 176.77 5.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -61.53 -177.8 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -66.63 118.68 10.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -87.88 85.27 6.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.555 ' CZ ' ' O ' ' A' ' 54' ' ' ARG . 6.7 p90 -108.33 151.82 25.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 44.3 p -93.68 159.13 15.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 84.2 t -117.32 143.41 27.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -135.35 118.92 16.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.6 mtm -152.93 163.9 38.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -117.76 175.25 5.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 86' ' ' ARG . 0.1 OUTLIER -73.22 160.74 31.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -130.68 -157.34 8.9 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.456 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.31 -57.22 11.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.795 0.331 . . . . 0.0 111.077 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.9 mmtt -112.72 29.72 7.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 113.92 -174.93 15.95 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.523 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.969 ' CE1' HG12 ' A' ' 88' ' ' VAL . 87.3 m-85 -54.45 -22.84 13.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.918 0.39 . . . . 0.0 110.858 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.78 40.35 17.99 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.45 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.647 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -152.89 142.82 22.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.836 0.35 . . . . 0.0 110.902 -179.889 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.5 t -118.17 168.83 10.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.824 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -130.55 168.65 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.098 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.451 ' CD ' ' CE ' ' A' ' 36' ' ' MET . 0.0 OUTLIER -146.29 164.92 30.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.438 ' CA ' ' HG3' ' A' ' 36' ' ' MET . . . 76.8 -172.97 54.85 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.483 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 132.3 165.2 11.22 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.481 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.432 ' HG3' ' C ' ' A' ' 71' ' ' ASP . 9.6 mmm180 -46.82 -32.36 3.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.753 0.311 . . . . 0.0 110.869 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -58.38 -36.73 73.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -109.21 6.88 25.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 49.3 mmtm 58.77 53.91 5.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.451 ' CE ' ' CD ' ' A' ' 29' ' ' ARG . 3.3 ptm -157.82 160.11 37.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.501 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . 2.4 m-20 -64.22 170.66 3.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.898 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.3 mt -98.16 118.44 34.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.501 ' CZ ' ' HB2' ' A' ' 37' ' ' ASP . 1.9 m-85 -118.64 168.18 10.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.922 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 76.6 t -85.34 101.72 10.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.137 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.544 HD13 ' C ' ' A' ' 41' ' ' LEU . 0.6 OUTLIER -49.04 -67.31 0.28 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.456 ' HD3' ' N ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -147.36 -179.87 7.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.666 HD21 ' SD ' ' A' ' 55' ' ' MET . 11.8 mt -131.37 150.53 52.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.944 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.45 118.87 27.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.079 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.682 ' HA ' HD13 ' A' ' 50' ' ' ILE . 5.6 pt-20 -58.66 -33.3 69.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -111.54 36.66 3.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -119.97 165.18 13.56 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.531 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -16.2 37.49 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.742 2.294 . . . . 0.0 112.336 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.25 -60.72 2.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.105 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.682 HD13 ' HA ' ' A' ' 45' ' ' GLU . 9.4 tt -55.32 -15.29 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.16 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 39.4 mtp180 -94.2 -19.28 20.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.423 ' ND2' ' H ' ' A' ' 55' ' ' MET . 0.5 OUTLIER -65.72 -57.0 9.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.47 ' O ' ' CD ' ' A' ' 56' ' ' ARG . . . 98.03 -53.71 1.21 Allowed Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.475 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.555 ' O ' ' CZ ' ' A' ' 13' ' ' PHE . 17.8 mmt180 -40.35 -30.73 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.756 0.312 . . . . 0.0 110.851 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.666 ' SD ' HD21 ' A' ' 43' ' ' LEU . 0.2 OUTLIER -123.74 139.66 53.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.47 ' CD ' ' O ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -132.62 -176.11 3.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.84 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.613 HG23 HD12 ' A' ' 43' ' ' LEU . 95.0 t -91.0 117.02 33.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.116 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 114.88 19.54 5.99 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.472 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.763 ' HB2' HD21 ' A' ' 92' ' ' LEU . 1.0 OUTLIER -104.43 176.43 5.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.723 0.296 . . . . 0.0 110.896 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.495 ' NE2' ' O ' ' A' ' 61' ' ' ILE . 1.4 tm0? -120.48 118.23 29.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.568 HG12 HD13 ' A' ' 92' ' ' LEU . 14.4 mt -86.39 119.99 35.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.547 ' CG1' HD22 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -101.04 -18.06 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 179.872 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.701 ' HA ' HG23 ' A' ' 69' ' ' THR . 13.9 tt0 -142.09 151.72 42.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 78.5 mt -142.84 116.97 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.114 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 33.2 m-20 56.13 27.4 11.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.88 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.425 ' HA2' ' NH2' ' A' ' 89' ' ' ARG . . . 77.42 13.4 83.59 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.532 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 68' ' ' SER . 8.9 mt-10 -110.33 106.68 16.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.855 0.359 . . . . 0.0 110.877 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 67' ' ' GLU . 61.4 m -34.49 120.63 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.701 HG23 ' HA ' ' A' ' 63' ' ' GLU . 43.2 p -83.61 58.58 4.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.154 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 28.9 ptt180 -119.38 149.37 41.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.432 ' C ' ' HG3' ' A' ' 32' ' ' ARG . 57.8 m-20 48.37 27.85 1.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 4.9 mtm -106.11 153.38 22.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 76' ' ' ARG . 35.5 p -106.38 145.81 31.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.414 ' C ' ' O ' ' A' ' 73' ' ' THR . 18.7 t-160 -37.2 -34.22 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.69 -46.78 83.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.115 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 73' ' ' THR . 6.7 tpt180 -54.7 -64.27 0.89 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -45.87 -33.06 2.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.105 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.6 mm -70.48 -32.39 49.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.13 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -84.02 -24.69 30.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.431 HD21 ' NE ' ' A' ' 76' ' ' ARG . 26.6 mt -67.92 -39.15 83.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 21.2 mt -63.83 -30.91 51.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.8 ptpt -97.04 -15.82 20.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 33.9 t -75.64 -34.65 60.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.832 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -71.33 -39.95 61.21 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.5 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 132.11 -127.83 5.06 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.497 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.502 ' O ' ' CE1' ' A' ' 24' ' ' PHE . 8.7 mtt-85 -94.31 -18.73 21.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.82 0.343 . . . . 0.0 110.879 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 31.3 mtm180 -109.47 122.81 48.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.969 HG12 ' CE1' ' A' ' 24' ' ' PHE . 8.8 p -122.96 124.68 70.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.12 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.425 ' NH2' ' HA2' ' A' ' 66' ' ' GLY . 17.4 ttp85 -118.74 112.49 19.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.756 HD23 HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -125.56 146.71 49.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.547 HD22 ' CG1' ' A' ' 62' ' ' ILE . 3.6 tt -84.69 112.83 20.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.763 HD21 ' HB2' ' A' ' 59' ' ' ASP . 6.7 tp -124.67 150.9 45.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.7 pttt -134.93 129.19 33.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.94 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 11.2 tpt85 -79.27 141.21 37.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -86.41 36.58 3.2 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.469 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 13.3 t -82.55 -28.99 30.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.828 0.347 . . . . 0.0 111.174 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 86.24 178.94 49.71 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.42 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.7 p -85.22 1.32 48.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.873 0.368 . . . . 0.0 110.855 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 126.19 -157.6 20.13 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.501 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 115.25 4.01 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.688 2.259 . . . . 0.0 112.367 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.5 m -86.19 85.84 7.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 46.7 t -160.53 139.59 10.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.866 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.498 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.1 t -57.47 -49.94 74.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.816 0.341 . . . . 0.0 110.812 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.4 t -94.22 79.42 3.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.97 -157.48 8.17 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.8 m -46.23 131.95 10.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.862 0.363 . . . . 0.0 110.866 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 m -94.17 97.33 10.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.829 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.45 94.62 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.503 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -128.31 89.77 2.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.813 0.339 . . . . 0.0 110.908 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.542 ' HB3' ' CZ ' ' A' ' 12' ' ' TYR . 2.0 p30 -43.5 159.58 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.833 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.593 ' CE1' ' HE2' ' A' ' 93' ' ' LYS . 36.0 p90 -164.57 129.19 2.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.839 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.4 t70 62.33 45.69 6.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.884 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.542 ' CZ ' ' HB3' ' A' ' 9' ' ' ASP . 2.5 m-85 -77.55 86.5 3.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.461 ' CE1' ' O ' ' A' ' 54' ' ' ARG . 19.4 p90 -110.7 153.19 25.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 51.4 p -93.75 162.22 14.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.092 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.567 HG13 ' HB2' ' A' ' 54' ' ' ARG . 32.7 t -126.04 145.66 33.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.127 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -135.82 123.24 21.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.5 mtm -155.45 174.89 14.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.487 ' O ' ' CD2' ' A' ' 24' ' ' PHE . 3.8 mp0 -116.94 174.26 6.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.83 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.576 ' HE2' ' CE1' ' A' ' 24' ' ' PHE . 13.0 ttmm -87.51 167.07 14.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.882 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -125.44 -122.2 2.59 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.501 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.55 -56.43 3.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.9 0.381 . . . . 0.0 111.052 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.05 25.45 10.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.941 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 133.67 -163.9 24.4 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.513 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 1.015 ' CE2' HG12 ' A' ' 88' ' ' VAL . 51.6 m-85 -82.25 37.52 0.5 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.899 0.381 . . . . 0.0 110.866 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 24' ' ' PHE . . . 36.67 40.24 0.45 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.503 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.647 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -153.15 138.35 17.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.868 0.366 . . . . 0.0 110.877 -179.888 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.2 t -112.36 164.65 13.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.838 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -126.95 168.63 19.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.117 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.503 ' HB3' HD23 ' A' ' 41' ' ' LEU . 5.1 ptp85 -147.54 161.51 40.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.43 -167.69 53.31 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.505 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 132.01 168.58 12.11 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.487 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.44 ' NE ' ' HA ' ' A' ' 32' ' ' ARG . 3.2 mmp_? -49.16 -27.96 3.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.812 0.339 . . . . 0.0 110.884 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -61.86 -35.69 79.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -108.98 11.32 25.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 47.1 mmtt 57.85 47.26 15.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.2 ptm -152.45 162.55 41.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.49 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 0.4 OUTLIER -69.7 170.92 9.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.837 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.86 HD12 ' HB ' ' A' ' 69' ' ' THR . 9.5 mt -95.76 116.14 28.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.494 ' CE2' ' HG2' ' A' ' 60' ' ' GLN . 1.8 m-85 -113.43 167.31 10.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 39.7 t -82.64 101.55 7.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.131 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.544 HD13 ' C ' ' A' ' 41' ' ' LEU . 1.0 OUTLIER -53.67 -66.07 0.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.466 ' HG2' ' N ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -150.42 150.11 30.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.814 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.466 ' N ' ' HG2' ' A' ' 42' ' ' ARG . 12.1 mt -106.03 151.13 25.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.69 118.58 29.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.885 ' HA ' HD13 ' A' ' 50' ' ' ILE . 7.9 pt-20 -59.67 -23.84 63.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.855 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -116.51 25.77 10.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -108.41 167.42 13.21 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.506 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -26.77 27.06 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.648 2.232 . . . . 0.0 112.357 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.563 ' HB2' ' O ' ' A' ' 24' ' ' PHE . . . -65.61 -63.96 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.116 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.885 HD13 ' HA ' ' A' ' 45' ' ' GLU . 5.1 tt -46.98 -23.73 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.148 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 66.3 mtp180 -82.91 -31.26 27.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 49' ' ' ALA . 0.4 OUTLIER -58.06 -59.46 5.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.495 ' O ' ' N ' ' A' ' 55' ' ' MET . . . 98.65 -53.6 1.11 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.499 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.567 ' HB2' HG13 ' A' ' 15' ' ' VAL . 50.5 mmt-85 -36.84 -29.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.769 0.319 . . . . 0.0 110.878 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.495 ' N ' ' O ' ' A' ' 53' ' ' GLY . 3.1 ptm -125.28 146.11 49.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.464 ' HA ' HD11 ' A' ' 43' ' ' LEU . 5.3 mpt_? -140.13 -177.3 4.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 88.0 t -81.07 138.63 19.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.139 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 96.22 -24.82 28.51 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.482 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.977 ' CB ' HD21 ' A' ' 92' ' ' LEU . 6.0 m-20 -54.81 169.33 0.22 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.8 0.333 . . . . 0.0 110.84 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.494 ' HG2' ' CE2' ' A' ' 39' ' ' TYR . 0.3 OUTLIER -121.43 117.68 27.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 -179.89 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.592 HG12 HD13 ' A' ' 92' ' ' LEU . 6.7 mt -90.55 127.36 43.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.113 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.724 ' N ' HD13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -105.4 -16.87 7.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 179.878 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.41 ' HB3' ' CB ' ' A' ' 91' ' ' LEU . 16.2 tt0 -140.66 149.04 41.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.502 HD12 HD13 ' A' ' 38' ' ' LEU . 56.1 mt -141.19 119.9 10.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.162 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.41 ' ND2' ' O ' ' A' ' 80' ' ' LEU . 29.5 m-20 52.56 27.3 4.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 82.22 34.27 23.94 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.478 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -127.06 158.84 35.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.807 0.337 . . . . 0.0 110.888 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.401 ' O ' ' HG3' ' A' ' 72' ' ' MET . 34.7 p -85.56 96.47 9.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.83 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.86 ' HB ' HD12 ' A' ' 38' ' ' LEU . 58.0 p -59.08 -9.67 2.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.124 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -67.42 -25.59 66.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -123.32 52.07 1.42 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.401 ' HG3' ' O ' ' A' ' 68' ' ' SER . 3.1 mtm -149.46 144.99 26.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 44.9 p -94.99 158.69 15.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.119 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.436 ' CE1' ' HA ' ' A' ' 29' ' ' ARG . 13.5 t-160 -44.27 -29.48 0.66 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.63 -50.33 38.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -49.6 -53.04 26.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.2 -50.13 67.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.089 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.4 ' HA ' HD12 ' A' ' 81' ' ' ILE . 2.9 mm -60.16 -16.96 13.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.072 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -95.21 -33.46 12.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.41 ' O ' ' ND2' ' A' ' 65' ' ' ASN . 30.7 mt -70.19 -40.26 74.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.4 HD12 ' HA ' ' A' ' 78' ' ' ILE . 20.7 mt -57.51 -32.7 42.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.159 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 7.3 ptpt -97.18 -12.08 23.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.6 t -81.17 -30.08 34.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.823 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -70.6 -43.39 60.7 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.501 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 134.7 -130.44 5.51 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.463 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 19' ' ' LYS . 6.8 mtm-85 -90.8 -24.34 20.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.79 0.328 . . . . 0.0 110.87 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 -109.3 130.62 55.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 1.015 HG12 ' CE2' ' A' ' 24' ' ' PHE . 11.9 p -124.86 142.19 42.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.131 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.407 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 42.6 ttt180 -133.25 121.17 22.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.666 HD23 HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -135.89 150.19 49.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.513 HD23 ' N ' ' A' ' 92' ' ' LEU . 3.7 tt -88.89 117.48 27.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.977 HD21 ' CB ' ' A' ' 59' ' ' ASP . 6.8 tp -127.06 146.82 50.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.593 ' HE2' ' CE1' ' A' ' 10' ' ' PHE . 9.1 ptmt -118.57 129.35 55.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 6.7 tpp85 -109.41 131.3 55.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -88.24 74.5 2.13 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 10.1 t -104.26 -33.97 8.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.857 0.36 . . . . 0.0 111.181 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -104.05 160.01 16.22 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.454 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 11.6 t -174.65 148.72 1.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.92 0.391 . . . . 0.0 110.869 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -67.4 -75.91 0.43 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.515 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 133.41 25.5 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.696 2.264 . . . . 0.0 112.349 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 45.0 m -102.58 147.93 26.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 7.8 t 68.12 43.95 1.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.826 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.505 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.5 m -127.82 91.17 3.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.884 0.373 . . . . 0.0 110.894 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.1 m -95.77 41.96 1.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.0 64.16 0.25 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.507 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.6 p -45.16 -45.11 11.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.869 0.366 . . . . 0.0 110.859 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.7 m -128.66 82.3 2.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.813 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.1 -37.35 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.45 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 -100.39 83.11 2.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.771 0.319 . . . . 0.0 110.954 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.598 ' HB3' ' CE1' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -104.99 -173.58 2.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -78.88 43.67 0.51 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.482 ' O ' ' N ' ' A' ' 13' ' ' PHE . 2.0 t70 73.79 54.67 0.11 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.598 ' CE1' ' HB3' ' A' ' 9' ' ' ASP . 2.5 m-30 -47.93 89.64 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.482 ' CZ ' ' O ' ' A' ' 54' ' ' ARG . 11.4 p90 -107.82 155.23 20.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 76.1 p -95.64 162.47 13.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.196 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.422 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 44.5 t -119.79 144.62 27.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.121 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -135.56 114.34 11.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.851 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.0 mtm -147.41 168.44 21.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.454 ' CG ' ' HG2' ' A' ' 87' ' ' ARG . 3.1 mt-10 -117.42 170.02 9.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.513 ' CE ' ' CE2' ' A' ' 24' ' ' PHE . 12.3 ttmt -83.2 146.51 28.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -105.88 -136.8 8.6 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.439 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.91 -49.1 14.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.815 0.34 . . . . 0.0 111.106 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.86 28.88 8.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 116.78 -176.14 16.1 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.512 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.908 ' CE1' HG12 ' A' ' 88' ' ' VAL . 69.7 m-85 -59.41 -15.48 17.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.887 0.375 . . . . 0.0 110.845 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.38 40.89 18.05 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.522 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.628 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -153.3 137.17 16.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.884 0.374 . . . . 0.0 110.883 -179.887 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.6 t -111.02 158.28 18.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.841 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -123.18 170.08 13.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.136 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.591 ' HB3' HD23 ' A' ' 41' ' ' LEU . 10.8 ptt180 -150.49 165.32 33.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.866 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.05 -167.71 53.64 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.46 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.52 167.74 12.26 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.477 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -45.68 -34.52 3.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.781 0.324 . . . . 0.0 110.847 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -56.36 -39.99 73.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.405 ' HB2' ' SD ' ' A' ' 36' ' ' MET . 8.1 m-85 -104.57 18.09 22.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 68.8 mmtt 49.8 46.91 23.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.405 ' SD ' ' HB2' ' A' ' 34' ' ' TYR . 4.0 ptm -151.43 169.89 20.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.587 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 0.7 OUTLIER -77.3 170.63 16.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.88 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.767 HD12 ' HB ' ' A' ' 69' ' ' THR . 8.3 mt -94.36 122.58 37.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.587 ' CE1' ' O ' ' A' ' 37' ' ' ASP . 1.0 OUTLIER -122.84 168.1 12.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 41.5 t -81.42 102.98 7.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.187 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.591 HD23 ' HB3' ' A' ' 29' ' ' ARG . 1.0 OUTLIER -55.3 -63.77 1.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.447 ' HG2' ' N ' ' A' ' 43' ' ' LEU . 0.5 OUTLIER -153.86 151.48 29.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.467 HD21 ' SD ' ' A' ' 55' ' ' MET . 11.9 mt -104.12 147.26 27.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.408 ' O ' ' CG2' ' A' ' 50' ' ' ILE . . . -85.21 118.5 24.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.142 179.75 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.834 ' HA ' HD13 ' A' ' 50' ' ' ILE . 11.4 pt-20 -61.52 -20.75 63.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -116.16 31.77 6.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.498 ' O ' HG22 ' A' ' 50' ' ' ILE . . . -122.56 164.57 15.53 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.512 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.429 ' N ' HH21 ' A' ' 51' ' ' ARG . 53.6 Cg_endo -69.8 -23.5 30.53 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.668 2.245 . . . . 0.0 112.328 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.452 ' CB ' ' HB3' ' A' ' 26' ' ' PHE . . . -65.62 -55.01 19.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.116 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.834 HD13 ' HA ' ' A' ' 45' ' ' GLU . 16.0 tt -58.2 -18.38 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.429 HH21 ' N ' ' A' ' 48' ' ' PRO . 48.2 mtm180 -94.62 -18.16 21.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -64.2 -55.75 19.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.422 ' O ' ' N ' ' A' ' 55' ' ' MET . . . 96.0 -54.26 1.61 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.506 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.482 ' O ' ' CZ ' ' A' ' 13' ' ' PHE . 66.0 mtt85 -37.61 -32.01 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.841 0.353 . . . . 0.0 110.885 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.571 ' HB2' HD22 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -124.58 150.21 46.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.424 ' HA ' HD11 ' A' ' 43' ' ' LEU . 5.0 mpt_? -142.31 -178.13 5.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 94.4 t -84.63 122.81 38.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.132 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 116.04 -33.94 4.95 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.492 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.796 ' HB2' HD21 ' A' ' 92' ' ' LEU . 57.2 m-20 -50.98 168.75 0.05 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.788 0.328 . . . . 0.0 110.812 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.456 HE22 HG23 ' A' ' 62' ' ' ILE . 17.0 tm0? -117.41 121.56 41.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.963 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.658 HG12 HD13 ' A' ' 92' ' ' LEU . 8.4 mt -93.52 128.63 44.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.488 ' N ' HD13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -107.36 -20.41 6.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 179.854 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.549 ' HA ' HG23 ' A' ' 69' ' ' THR . 19.8 tt0 -137.83 148.66 45.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.729 HG13 HG21 ' A' ' 69' ' ' THR . 75.8 mt -141.4 123.98 14.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.092 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.0 m120 48.99 43.77 22.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 65.21 35.89 92.18 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.535 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -135.05 128.72 32.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.839 0.352 . . . . 0.0 110.908 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.1 t -61.14 121.86 13.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.767 ' HB ' HD12 ' A' ' 38' ' ' LEU . 19.0 p -96.2 49.13 1.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.158 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.8 ttt180 -100.48 -42.54 6.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.2 p30 -116.85 47.22 1.5 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 9.3 mtm -124.07 156.82 35.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 75' ' ' ALA . 67.6 p -107.17 146.5 31.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.447 ' CE1' ' HA ' ' A' ' 29' ' ' ARG . 13.6 t-160 -34.44 -36.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 73' ' ' THR . . . -61.26 -54.03 49.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.487 ' NE ' HD21 ' A' ' 80' ' ' LEU . 6.2 tpt180 -47.67 -55.8 8.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -49.66 -48.8 49.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.12 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.5 mm -60.82 -21.2 23.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.6 -33.25 16.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.828 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.487 HD21 ' NE ' ' A' ' 76' ' ' ARG . 40.2 mt -67.79 -39.66 84.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 24.7 mt -60.15 -33.76 54.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.158 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.406 ' HA ' ' NZ ' ' A' ' 19' ' ' LYS . 0.8 OUTLIER -97.44 -19.37 18.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.827 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.0 t -77.26 -30.12 54.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.872 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -68.63 -46.99 59.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.473 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 137.16 -132.0 5.8 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.468 ' O ' ' N ' ' A' ' 19' ' ' LYS . 43.1 mtt180 -92.12 -21.53 20.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.816 0.341 . . . . 0.0 110.855 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.454 ' HG2' ' CG ' ' A' ' 18' ' ' GLU . 62.7 mtt180 -115.34 122.88 47.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.908 HG12 ' CE1' ' A' ' 24' ' ' PHE . 11.0 p -118.82 145.75 24.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.169 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.422 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 43.6 ttt180 -136.13 117.24 14.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.603 HD23 HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -129.45 147.24 51.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.563 HD23 ' N ' ' A' ' 92' ' ' LEU . 4.0 tt -82.81 120.48 25.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.796 HD21 ' HB2' ' A' ' 59' ' ' ASP . 7.4 tp -134.48 145.72 49.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.413 ' NZ ' ' HB3' ' A' ' 60' ' ' GLN . 17.0 pttm -125.45 130.07 51.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.434 ' HD3' ' N ' ' A' ' 95' ' ' GLY . 2.8 tmt_? -90.47 144.99 25.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.841 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.434 ' N ' ' HD3' ' A' ' 94' ' ' ARG . . . -86.15 60.07 4.62 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.504 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.43 ' O ' ' C ' ' A' ' 97' ' ' GLY . 10.1 t -97.8 -41.06 8.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.824 0.345 . . . . 0.0 111.157 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 96' ' ' THR . . . -35.39 -77.07 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.488 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.1 t -108.96 37.61 2.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.849 0.357 . . . . 0.0 110.839 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 45.68 -171.54 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.497 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 179.54 3.64 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.673 2.249 . . . . 0.0 112.351 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.5 t 69.03 42.08 1.32 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.84 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 20.9 m -77.07 92.23 3.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.489 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.4 m -73.36 151.69 41.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.902 0.382 . . . . 0.0 110.85 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t 60.75 49.56 6.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.23 133.9 11.5 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.487 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.3 t -140.05 122.73 16.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.921 0.391 . . . . 0.0 110.852 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.9 t -122.52 92.09 3.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.88 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.25 85.91 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.527 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -119.21 111.34 18.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.867 0.365 . . . . 0.0 110.875 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.465 ' HB2' ' CZ ' ' A' ' 12' ' ' TYR . 8.8 m-20 -123.6 -175.08 3.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.481 ' CD2' ' O ' ' A' ' 94' ' ' ARG . 9.3 m-85 -63.02 -174.9 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.42 116.64 6.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.834 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.465 ' CZ ' ' HB2' ' A' ' 9' ' ' ASP . 13.4 m-85 -84.46 97.11 9.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.945 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.542 ' CD1' ' O ' ' A' ' 92' ' ' LEU . 30.1 p90 -111.0 161.57 15.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.882 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 64.4 p -103.93 157.33 17.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.162 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 44.6 t -114.39 143.32 24.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.146 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -135.64 110.85 8.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.5 mtm -145.39 178.5 8.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.476 ' CG ' ' HG2' ' A' ' 87' ' ' ARG . 7.9 mt-10 -128.25 173.74 9.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.44 ' HE2' ' CD2' ' A' ' 24' ' ' PHE . 9.2 ttmt -83.81 149.85 26.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -115.53 -151.85 9.97 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.472 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.22 -50.24 71.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.861 0.362 . . . . 0.0 111.111 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -110.43 29.77 7.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 109.02 -174.15 18.06 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.504 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 1.122 ' CE1' HG12 ' A' ' 88' ' ' VAL . 62.9 m-85 -56.64 -15.68 4.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.907 0.384 . . . . 0.0 110.911 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.06 37.22 29.52 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.636 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -152.32 143.24 23.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.853 0.359 . . . . 0.0 110.84 -179.847 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.5 t -115.28 172.18 7.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.405 ' O ' ' NE2' ' A' ' 74' ' ' HIS . 0.6 OUTLIER -136.49 170.26 18.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.183 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.495 ' HA ' ' CE1' ' A' ' 74' ' ' HIS . 4.7 ptp180 -151.25 170.06 20.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.45 -171.26 51.7 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.474 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 130.89 171.76 12.97 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.5 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.5 mmt180 -50.64 -27.32 6.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.778 0.323 . . . . 0.0 110.883 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -62.55 -32.81 73.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -114.68 12.13 17.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.96 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.82 53.63 10.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.3 ptm -157.54 163.02 38.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.553 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 1.2 m-20 -67.34 171.0 6.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.865 HD12 ' HB ' ' A' ' 69' ' ' THR . 8.5 mt -97.65 117.69 32.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.553 ' CE1' ' O ' ' A' ' 37' ' ' ASP . 0.4 OUTLIER -119.47 163.61 17.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 64.8 t -78.89 111.62 15.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.125 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.496 HD13 ' C ' ' A' ' 41' ' ' LEU . 2.1 tm? -61.07 -57.61 11.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.473 ' HG2' ' N ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -158.73 149.3 19.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.698 HD11 ' HA ' ' A' ' 56' ' ' ARG . 10.8 mt -100.55 151.07 22.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -86.39 116.68 24.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.754 ' HA ' HD13 ' A' ' 50' ' ' ILE . 15.9 pt-20 -63.11 -22.77 67.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -113.12 15.67 19.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -103.35 167.07 16.46 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.47 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -29.02 24.28 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.678 2.252 . . . . 0.0 112.336 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.32 -60.88 3.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.074 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.754 HD13 ' HA ' ' A' ' 45' ' ' GLU . 5.6 tt -53.35 -16.83 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.127 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.2 mtp-105 -89.76 -27.28 20.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.59 -58.26 8.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 55' ' ' MET . . . 98.85 -54.21 1.05 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.489 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.511 ' O ' ' CE2' ' A' ' 13' ' ' PHE . 11.9 mmp_? -37.46 -31.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.821 0.344 . . . . 0.0 110.85 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.447 ' N ' ' O ' ' A' ' 53' ' ' GLY . 2.2 ptm -127.24 140.43 52.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.698 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.4 OUTLIER -135.99 171.5 14.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.891 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.426 HG12 ' H ' ' A' ' 57' ' ' VAL . 0.2 OUTLIER -79.98 128.84 38.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.155 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 112.67 2.2 25.71 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.528 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.803 ' HB2' HD21 ' A' ' 92' ' ' LEU . 1.7 m-20 -92.76 170.69 9.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.739 0.304 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 61' ' ' ILE . 5.8 tm0? -112.18 114.54 27.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.632 HG12 HD13 ' A' ' 92' ' ' LEU . 23.7 mt -83.05 125.65 40.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.687 ' N ' HD13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -103.16 -23.96 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.87 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.45 ' CA ' HG23 ' A' ' 69' ' ' THR . 18.1 tt0 -137.38 154.7 49.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.465 HD12 HG22 ' A' ' 69' ' ' THR . 96.1 mt -142.48 115.17 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.469 ' ND2' ' O ' ' A' ' 80' ' ' LEU . 34.0 m-20 56.35 27.41 11.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.829 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 82.61 33.15 25.67 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.52 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -134.61 131.96 38.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.896 0.379 . . . . 0.0 110.842 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.5 m -57.63 104.21 0.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.829 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.865 ' HB ' HD12 ' A' ' 38' ' ' LEU . 40.7 p -50.1 -18.12 0.52 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.148 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 38.6 ttt180 -67.2 141.81 57.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 71.9 26.33 2.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 4.1 mtm -127.55 144.81 51.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.418 ' O ' ' N ' ' A' ' 75' ' ' ALA . 35.6 p -97.55 148.89 22.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.133 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.495 ' CE1' ' HA ' ' A' ' 29' ' ' ARG . 17.1 t-160 -40.07 -28.38 0.05 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 73' ' ' THR . . . -69.68 -49.89 49.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.103 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.408 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 7.7 tpt180 -54.17 -59.4 4.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -48.49 -34.55 11.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.163 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.4 HG12 ' O ' ' A' ' 74' ' ' HIS . 4.8 mm -69.34 -27.51 34.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 76' ' ' ARG . 1.8 pt-20 -88.5 -23.59 23.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.469 ' O ' ' ND2' ' A' ' 65' ' ' ASN . 83.3 mt -71.65 -42.87 67.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 23.8 mt -57.61 -32.41 42.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.162 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -97.22 -16.27 20.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 39.0 t -73.84 -32.52 63.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -69.15 -39.98 82.82 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.534 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 130.4 -139.71 11.17 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.51 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 19' ' ' LYS . 15.7 mtm180 -82.29 -22.51 35.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.79 0.328 . . . . 0.0 110.867 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.476 ' HG2' ' CG ' ' A' ' 18' ' ' GLU . 70.7 mtp180 -112.47 123.06 49.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 1.122 HG12 ' CE1' ' A' ' 24' ' ' PHE . 10.6 p -118.85 147.21 22.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.149 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 19.9 ttm180 -140.72 116.91 10.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.601 HD23 HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -127.78 150.5 49.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.486 HD23 ' N ' ' A' ' 92' ' ' LEU . 2.0 tt -87.18 112.0 21.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.803 HD21 ' HB2' ' A' ' 59' ' ' ASP . 8.5 tp -121.31 152.35 39.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.43 129.62 29.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.481 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 3.6 mmt85 -72.69 162.08 29.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.45 ' HA2' ' CE2' ' A' ' 10' ' ' PHE . . . -105.03 51.9 0.75 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.466 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.7 t -106.54 -8.12 17.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.815 0.34 . . . . 0.0 111.103 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -69.82 -45.86 55.88 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.458 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.5 t -68.38 130.3 42.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.898 0.38 . . . . 0.0 110.892 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 76.04 165.9 20.24 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.459 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 0.51 5.53 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.667 2.245 . . . . 0.0 112.357 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.1 p 60.8 43.36 12.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.864 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.5 t -98.11 -45.0 6.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.891 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.475 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.3 p -134.94 99.36 4.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.865 0.364 . . . . 0.0 110.866 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.4 p -63.17 170.37 2.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.815 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.74 -112.96 0.49 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.5 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.7 m 47.99 37.83 8.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.873 0.368 . . . . 0.0 110.887 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.1 m -110.92 76.54 0.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.841 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.15 81.81 0.23 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.515 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -120.65 18.91 11.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.803 0.335 . . . . 0.0 110.949 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.571 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 6.1 m-20 -51.42 -175.46 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.541 ' CE2' ' HA ' ' A' ' 96' ' ' THR . 76.2 m-85 -52.18 -175.89 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -52.53 123.74 11.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.571 ' CE2' ' HB2' ' A' ' 9' ' ' ASP . 2.6 m-85 -107.47 75.95 1.05 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.495 ' CE1' ' O ' ' A' ' 54' ' ' ARG . 32.7 p90 -107.79 158.68 17.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.877 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 59.2 p -102.72 156.54 17.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.105 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.404 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 66.5 t -114.01 143.78 23.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.107 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -135.29 115.98 13.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.8 mtm -151.68 171.73 17.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.871 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.47 ' O ' ' CD2' ' A' ' 24' ' ' PHE . 9.4 mt-10 -117.09 174.69 5.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 86' ' ' ARG . 35.4 ttmt -88.39 152.43 21.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -109.76 -125.01 4.92 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.485 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.29 -56.6 3.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.856 0.36 . . . . 0.0 111.144 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -109.66 24.06 13.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 129.21 -165.5 21.89 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.463 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.985 ' CE2' HG12 ' A' ' 88' ' ' VAL . 46.6 m-85 -82.31 39.4 0.59 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.868 0.366 . . . . 0.0 110.893 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.462 ' C ' ' O ' ' A' ' 24' ' ' PHE . . . 32.33 40.73 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.451 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.654 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -153.09 140.93 20.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.869 0.366 . . . . 0.0 110.896 -179.898 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.2 t -117.95 165.23 13.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -126.55 169.88 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.12 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.468 ' HA ' ' CE1' ' A' ' 74' ' ' HIS . 4.0 ptp180 -145.99 165.06 30.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.5 -167.11 53.81 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 132.05 168.21 12.02 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.521 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.403 ' HG3' ' C ' ' A' ' 71' ' ' ASP . 9.2 mmm180 -52.41 -19.03 1.9 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.747 0.308 . . . . 0.0 110.864 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -69.13 -36.41 77.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -107.87 8.04 28.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.6 mptt 60.79 50.36 5.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.2 ptm -153.88 167.06 30.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.545 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 22.6 m-20 -73.4 170.51 14.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.639 HD12 ' HB ' ' A' ' 69' ' ' THR . 12.4 mt -94.57 117.53 30.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.918 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.545 ' CE1' ' O ' ' A' ' 37' ' ' ASP . 1.5 m-85 -118.01 167.1 11.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.479 HG21 ' O ' ' A' ' 56' ' ' ARG . 29.7 t -76.5 112.54 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.133 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.556 HD13 ' C ' ' A' ' 41' ' ' LEU . 3.5 tm? -66.87 -60.78 2.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.443 ' HG2' ' N ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -155.35 149.28 25.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.443 ' N ' ' HG2' ' A' ' 42' ' ' ARG . 11.8 mt -107.22 150.2 26.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.82 117.87 28.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.107 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.872 ' HA ' HD13 ' A' ' 50' ' ' ILE . 14.5 pt-20 -62.46 -15.12 48.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -121.17 12.24 11.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -96.76 168.24 24.83 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.492 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -25.75 28.45 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.702 2.268 . . . . 0.0 112.364 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 52' ' ' ASN . . . -64.42 -66.03 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.872 HD13 ' HA ' ' A' ' 45' ' ' GLU . 3.8 tt -45.96 -22.75 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -84.84 -32.25 23.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.846 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 49' ' ' ALA . 0.3 OUTLIER -58.1 -59.4 5.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.917 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' A' ' 55' ' ' MET . . . 99.36 -54.09 0.99 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.434 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.495 ' O ' ' CE1' ' A' ' 13' ' ' PHE . 16.5 mmt85 -34.52 -32.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.789 0.328 . . . . 0.0 110.861 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.5 ' N ' ' O ' ' A' ' 53' ' ' GLY . 4.1 ptm -123.92 144.94 49.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.479 ' O ' HG21 ' A' ' 40' ' ' VAL . 0.4 OUTLIER -138.02 -176.32 4.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.831 -179.89 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.442 HG23 HD12 ' A' ' 43' ' ' LEU . 57.7 t -85.5 140.51 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 92.31 3.77 66.95 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.472 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.89 ' CB ' HD21 ' A' ' 92' ' ' LEU . 4.0 m-20 -87.54 166.77 14.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.769 0.318 . . . . 0.0 110.841 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.465 ' NE2' ' O ' ' A' ' 61' ' ' ILE . 1.4 tm0? -113.22 119.02 36.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.616 HG12 HD13 ' A' ' 92' ' ' LEU . 12.4 mt -90.84 122.8 42.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.679 HD12 ' HD3' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -100.45 -35.05 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.161 179.833 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -120.56 145.33 47.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.634 HG13 HG21 ' A' ' 69' ' ' THR . 50.9 mt -137.77 110.49 7.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.127 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.481 ' ND2' ' O ' ' A' ' 80' ' ' LEU . 34.2 m-20 53.24 39.82 30.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 70.73 33.59 66.68 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.497 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -133.32 124.05 26.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.873 0.368 . . . . 0.0 110.837 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 79.3 p -56.68 120.94 8.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.904 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.639 ' HB ' HD12 ' A' ' 38' ' ' LEU . 12.2 p -94.55 51.85 1.47 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.138 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -106.12 -33.78 7.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.849 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.403 ' C ' ' HG3' ' A' ' 32' ' ' ARG . 5.9 t70 -125.0 44.99 2.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 4.9 mtm -126.44 141.16 51.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 40.7 p -91.87 154.67 18.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.468 ' CE1' ' HA ' ' A' ' 29' ' ' ARG . 9.5 t-160 -40.46 -33.09 0.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.83 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.23 -54.96 21.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.08 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -48.75 -47.95 41.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.865 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.28 -47.76 82.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.108 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.449 ' HA ' HD12 ' A' ' 81' ' ' ILE . 2.8 mm -62.45 -17.95 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.083 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -93.72 -33.05 13.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.481 ' O ' ' ND2' ' A' ' 65' ' ' ASN . 24.9 mt -68.85 -35.58 77.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.449 HD12 ' HA ' ' A' ' 78' ' ' ILE . 21.3 mt -62.56 -35.5 70.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -97.08 -12.76 22.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.5 t -74.03 -34.87 64.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -70.05 -42.53 67.84 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.474 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 134.94 -131.88 6.04 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.506 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 19' ' ' LYS . 49.0 mtt180 -90.68 -18.36 25.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.756 0.312 . . . . 0.0 110.869 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.473 ' CZ ' ' HB2' ' A' ' 87' ' ' ARG . 21.4 mtm105 -111.55 123.84 51.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.985 HG12 ' CE2' ' A' ' 24' ' ' PHE . 10.9 p -122.39 144.73 30.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.404 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 17.0 ttm180 -139.04 114.13 9.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.851 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.686 HD23 HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -127.8 147.71 50.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.953 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.466 HD23 ' N ' ' A' ' 92' ' ' LEU . 3.2 tt -88.43 115.39 25.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.89 HD21 ' CB ' ' A' ' 59' ' ' ASP . 10.2 tp -117.71 148.51 41.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.939 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.679 ' HD3' HD12 ' A' ' 62' ' ' ILE . 2.2 ptmt -115.03 128.72 56.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.474 ' HD3' ' N ' ' A' ' 95' ' ' GLY . 0.0 OUTLIER -101.9 154.9 18.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.474 ' N ' ' HD3' ' A' ' 94' ' ' ARG . . . 89.01 -14.64 60.01 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.478 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.541 ' HA ' ' CE2' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -80.64 -25.97 37.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.836 0.351 . . . . 0.0 111.15 -179.864 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -112.75 -115.06 3.33 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.507 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 70.9 p -146.85 160.19 42.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.937 0.399 . . . . 0.0 110.883 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -176.77 -169.69 38.38 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.508 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 116.36 4.52 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.678 2.252 . . . . 0.0 112.364 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.9 t -74.37 81.18 1.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 35.9 p -165.68 133.86 3.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.8 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.502 -179.988 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.8 t -72.32 83.88 1.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.858 0.361 . . . . 0.0 110.868 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.1 p -100.34 113.36 26.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.878 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.91 167.41 18.81 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.512 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.3 t -94.63 94.94 8.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.841 0.353 . . . . 0.0 110.868 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.3 m -102.94 127.88 49.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.869 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.15 -116.53 2.47 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.474 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -114.11 24.26 12.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.766 0.317 . . . . 0.0 110.914 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.425 ' C ' ' CD1' ' A' ' 10' ' ' PHE . 0.6 OUTLIER -60.03 -175.4 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.849 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.425 ' CD1' ' C ' ' A' ' 9' ' ' ASP . 0.1 OUTLIER -127.07 -174.01 3.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 -179.909 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.4 ' O ' ' OD1' ' A' ' 11' ' ' ASP . 0.5 OUTLIER -38.53 126.89 1.46 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.901 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -94.44 85.04 4.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.625 ' CD1' ' O ' ' A' ' 92' ' ' LEU . 30.3 p90 -107.81 157.16 18.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.847 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 76.6 p -100.84 155.38 17.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 85.3 t -110.55 142.55 22.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -135.81 114.54 11.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.3 mtm -150.3 174.72 12.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -119.42 175.07 6.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 86' ' ' ARG . 26.2 ttmt -84.9 159.59 20.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -118.33 -125.4 3.49 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.464 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.88 -56.63 3.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.856 0.36 . . . . 0.0 111.088 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.8 mtmm -115.89 30.97 7.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.95 -165.42 20.17 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.461 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.952 ' CE2' HG12 ' A' ' 88' ' ' VAL . 55.4 m-85 -81.45 40.67 0.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.91 0.386 . . . . 0.0 110.901 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.467 ' C ' ' O ' ' A' ' 24' ' ' PHE . . . 31.21 40.11 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.506 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.654 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -153.04 143.62 22.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.9 0.381 . . . . 0.0 110.857 -179.881 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 46.6 t -118.99 164.37 15.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.808 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.402 ' O ' ' NE2' ' A' ' 74' ' ' HIS . 0.7 OUTLIER -124.06 169.21 15.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.104 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.583 ' HA ' ' CE1' ' A' ' 74' ' ' HIS . 1.2 ptp180 -148.25 156.02 42.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.63 -172.48 53.44 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 138.37 171.08 12.04 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.527 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.8 mmm180 -55.5 -17.58 5.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.765 0.317 . . . . 0.0 110.837 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.496 ' N ' HG22 ' A' ' 73' ' ' THR . 5.1 tp10 -72.87 -32.52 65.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.417 ' C ' ' HD2' ' A' ' 35' ' ' LYS . 16.7 m-85 -108.92 6.29 25.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.417 ' HD2' ' C ' ' A' ' 34' ' ' TYR . 8.3 mptt 64.55 41.32 5.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.925 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 2.7 ptm -147.92 165.32 31.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.528 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 3.8 m-20 -72.54 170.98 13.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.854 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.891 HD12 ' HB ' ' A' ' 69' ' ' THR . 10.5 mt -95.59 118.15 31.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.946 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.528 ' CE1' ' O ' ' A' ' 37' ' ' ASP . 1.4 m-85 -117.34 167.78 10.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 86.6 t -82.56 100.13 6.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.128 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.516 HD13 ' C ' ' A' ' 41' ' ' LEU . 3.3 tm? -49.17 -65.3 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.472 ' HD3' ' N ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -147.42 -177.82 5.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.517 HD11 ' HA ' ' A' ' 56' ' ' ARG . 10.8 mt -134.74 147.61 50.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.958 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -88.34 120.04 29.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.068 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.836 ' HA ' HD13 ' A' ' 50' ' ' ILE . 12.7 pt-20 -60.84 -24.45 65.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -116.06 23.85 11.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -104.77 168.42 16.03 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.452 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -26.35 27.77 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.727 2.285 . . . . 0.0 112.387 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 52' ' ' ASN . . . -65.29 -67.05 0.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.137 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.836 HD13 ' HA ' ' A' ' 45' ' ' GLU . 4.5 tt -44.75 -21.65 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 51.8 mtp85 -87.08 -33.29 19.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.825 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 49' ' ' ALA . 0.4 OUTLIER -56.77 -57.54 12.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.918 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.502 ' O ' ' N ' ' A' ' 55' ' ' MET . . . 96.41 -53.53 1.53 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.469 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.45 ' O ' ' CZ ' ' A' ' 13' ' ' PHE . 14.5 mtp180 -36.37 -29.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.779 0.323 . . . . 0.0 110.863 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.502 ' N ' ' O ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -123.09 161.94 23.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.517 ' HA ' HD11 ' A' ' 43' ' ' LEU . 1.3 mpp_? -155.89 -175.19 5.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.861 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 42.7 t -86.93 135.17 25.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.151 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 99.47 7.41 54.07 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.48 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.772 ' CB ' HD21 ' A' ' 92' ' ' LEU . 70.0 m-20 -90.34 157.24 17.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.78 0.324 . . . . 0.0 110.85 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.501 ' NE2' ' O ' ' A' ' 61' ' ' ILE . 3.6 tm0? -109.07 109.55 20.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.501 ' O ' ' NE2' ' A' ' 60' ' ' GLN . 8.0 mt -82.25 136.23 23.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.116 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.765 HD11 ' HD2' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -116.85 -26.65 2.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.163 179.855 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.409 ' HA ' HG23 ' A' ' 69' ' ' THR . 5.0 tp10 -130.64 135.27 47.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 50.3 mt -132.34 123.51 50.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.099 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.422 ' ND2' ' O ' ' A' ' 80' ' ' LEU . 51.5 m-20 47.63 33.75 3.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.7 32.14 51.42 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.511 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -128.26 137.97 52.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.845 0.355 . . . . 0.0 110.921 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.2 m -67.9 100.24 0.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.891 ' HB ' HD12 ' A' ' 38' ' ' LEU . 17.8 p -66.53 -2.8 5.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.137 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.3 ttt180 -71.31 -22.01 61.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -128.36 52.14 1.93 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 5.5 mtm -147.08 146.21 29.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.496 HG22 ' N ' ' A' ' 33' ' ' GLU . 49.1 p -91.88 166.9 12.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.167 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.583 ' CE1' ' HA ' ' A' ' 29' ' ' ARG . 9.3 t-160 -53.83 -24.02 14.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.938 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.03 -51.39 16.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.074 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -48.75 -54.77 13.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.78 -50.06 64.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.088 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.535 ' HA ' HD12 ' A' ' 81' ' ' ILE . 2.8 mm -60.19 -17.77 14.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.92 -33.62 12.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.422 ' O ' ' ND2' ' A' ' 65' ' ' ASN . 33.8 mt -69.78 -38.99 76.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.952 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.535 HD12 ' HA ' ' A' ' 78' ' ' ILE . 12.5 mt -58.71 -32.47 46.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.145 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -97.11 -14.88 21.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.4 t -78.78 -31.75 46.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -70.39 -34.59 68.61 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.521 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 127.37 -127.94 6.0 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.483 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 19' ' ' LYS . 18.8 mtt-85 -96.43 -17.98 20.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.787 0.327 . . . . 0.0 110.889 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 26.1 mtp85 -111.85 127.55 55.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.952 HG12 ' CE2' ' A' ' 24' ' ' PHE . 14.3 p -123.41 140.35 47.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.159 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.406 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 5.5 ttp180 -133.68 121.54 22.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.62 HD23 HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -136.81 149.2 47.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.75 HD23 ' N ' ' A' ' 92' ' ' LEU . 3.2 tt -82.6 129.04 34.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.966 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.772 HD21 ' CB ' ' A' ' 59' ' ' ASP . 11.0 tp -141.77 151.75 43.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.939 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.765 ' HD2' HD11 ' A' ' 62' ' ' ILE . 0.6 OUTLIER -121.91 129.18 52.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.839 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.404 ' HD3' ' C ' ' A' ' 95' ' ' GLY . 0.0 OUTLIER -72.77 146.18 46.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.404 ' C ' ' HD3' ' A' ' 94' ' ' ARG . . . -83.57 79.79 1.88 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.475 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 10.1 t -110.2 -8.26 14.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.842 0.353 . . . . 0.0 111.139 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 91.89 -179.84 41.42 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.516 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.0 m -89.43 42.36 1.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.916 0.388 . . . . 0.0 110.839 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 41.93 70.87 0.41 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.481 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 127.72 14.93 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.672 2.248 . . . . 0.0 112.313 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 83.1 p -110.79 83.67 1.8 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.874 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 19.0 t -159.93 147.83 16.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.82 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.52 179.996 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.4 m -100.59 41.4 1.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.875 0.369 . . . . 0.0 110.827 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.2 m -119.92 165.3 14.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.879 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.78 -40.46 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.483 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t 49.53 44.3 24.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.908 0.385 . . . . 0.0 110.866 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t 65.06 47.6 2.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.869 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.29 125.33 1.6 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.471 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -123.49 105.4 9.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.833 0.349 . . . . 0.0 110.939 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.48 169.95 13.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.594 ' CD2' ' HD3' ' A' ' 93' ' ' LYS . 1.3 m-85 -126.8 -174.76 3.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -42.36 103.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -79.89 92.53 5.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.955 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.544 ' CE1' ' O ' ' A' ' 54' ' ' ARG . 18.4 p90 -107.66 156.71 18.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.844 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 32.2 p -101.07 158.99 15.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.114 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 39.4 t -113.98 143.35 23.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.145 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -135.62 114.52 12.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.3 mtm -149.6 173.25 13.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -124.01 171.58 9.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.523 ' HE2' ' CD2' ' A' ' 24' ' ' PHE . 9.7 ttmt -84.22 144.99 28.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.922 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -109.81 -140.69 8.83 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.475 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.77 -53.44 11.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.813 0.339 . . . . 0.0 111.067 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.1 mmtt -106.82 28.67 7.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 110.2 -176.9 19.41 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.454 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 1.13 ' CE1' HG12 ' A' ' 88' ' ' VAL . 69.5 m-85 -54.03 -21.23 7.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.899 0.381 . . . . 0.0 110.894 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.43 39.21 9.16 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.611 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.4 OUTLIER -152.78 147.07 25.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.873 0.368 . . . . 0.0 110.884 -179.911 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.2 t -119.68 164.04 16.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.415 HG22 ' CD1' ' A' ' 61' ' ' ILE . 0.7 OUTLIER -126.1 170.2 16.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.454 ' HD2' ' N ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -149.76 167.42 26.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.827 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.454 ' N ' ' HD2' ' A' ' 29' ' ' ARG . . . 74.27 -169.93 53.71 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.473 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 131.74 168.68 12.17 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.438 ' HG3' ' C ' ' A' ' 71' ' ' ASP . 9.7 mmm180 -49.41 -27.25 3.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.767 0.318 . . . . 0.0 110.85 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.498 ' OE1' ' CZ ' ' A' ' 34' ' ' TYR . 4.4 tt0 -61.93 -36.06 80.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.498 ' CZ ' ' OE1' ' A' ' 33' ' ' GLU . 1.9 m-85 -110.59 11.75 22.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.6 mptt 54.44 52.73 11.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.886 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.435 ' CE ' ' CD ' ' A' ' 29' ' ' ARG . 3.6 ptm -155.67 161.61 40.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.521 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . 2.8 m-20 -66.0 171.04 4.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.7 mt -97.42 123.86 41.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.521 ' CZ ' ' HB2' ' A' ' 37' ' ' ASP . 2.4 m-85 -124.58 163.81 21.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 85.1 t -79.15 100.93 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.052 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.465 HD13 ' C ' ' A' ' 41' ' ' LEU . 0.5 OUTLIER -49.06 -66.87 0.33 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.888 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.473 ' HG2' ' N ' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -152.3 149.26 28.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.854 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.728 HD11 ' HA ' ' A' ' 56' ' ' ARG . 10.8 mt -98.48 151.18 20.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -91.16 113.33 25.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.096 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.878 ' HA ' HD13 ' A' ' 50' ' ' ILE . 11.9 pt-20 -58.32 -26.08 62.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -107.25 25.65 11.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.42 ' O ' HG22 ' A' ' 50' ' ' ILE . . . -114.88 163.56 12.17 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.539 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -22.26 32.28 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.696 2.264 . . . . 0.0 112.374 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.05 -58.05 6.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.878 HD13 ' HA ' ' A' ' 45' ' ' GLU . 8.4 tt -52.67 -15.63 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 77.7 mtt180 -92.07 -26.78 18.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -61.77 -60.2 4.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.485 ' O ' ' N ' ' A' ' 55' ' ' MET . . . 100.29 -54.01 0.91 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.544 ' O ' ' CE1' ' A' ' 13' ' ' PHE . 21.2 mmt180 -36.48 -30.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.85 0.357 . . . . 0.0 110.93 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.554 ' HB2' HD22 ' A' ' 92' ' ' LEU . 3.2 ptm -128.99 143.51 50.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.728 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -141.15 171.41 14.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.433 HG12 ' H ' ' A' ' 57' ' ' VAL . 0.2 OUTLIER -78.12 122.33 32.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 117.71 0.93 17.72 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.513 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.856 ' HB2' HD21 ' A' ' 92' ' ' LEU . 1.1 m-20 -89.51 -177.02 5.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 110.875 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 61' ' ' ILE . 3.2 tm0? -123.37 116.77 23.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.498 ' O ' ' NE2' ' A' ' 60' ' ' GLN . 6.7 mt -86.87 121.36 37.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.163 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.557 ' N ' HD13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -104.98 -19.91 6.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.099 179.903 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.692 ' HA ' HG23 ' A' ' 69' ' ' THR . 15.4 tp10 -136.75 155.5 49.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.834 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.615 HG13 HG21 ' A' ' 69' ' ' THR . 72.3 mt -147.72 115.13 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.132 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.3 m-20 50.08 47.73 23.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 57.33 27.02 57.46 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -120.43 102.84 8.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.868 0.366 . . . . 0.0 110.924 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 52.0 m -38.09 109.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.825 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.692 HG23 ' HA ' ' A' ' 63' ' ' GLU . 19.3 p -75.56 54.83 0.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.197 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -107.86 135.08 49.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.438 ' C ' ' HG3' ' A' ' 32' ' ' ARG . 4.7 m-20 55.16 34.19 22.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 5.9 mtm -105.64 149.5 26.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 76' ' ' ARG . 53.0 p -100.77 147.74 25.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 17.7 t-160 -38.51 -36.95 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.827 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.71 -46.67 87.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 73' ' ' THR . 8.0 tpt180 -53.08 -64.86 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -46.35 -38.51 8.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.088 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.8 mm -62.58 -31.3 51.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 76' ' ' ARG . 1.5 pt-20 -84.64 -28.19 26.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 46.9 mt -65.94 -38.88 89.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 20.4 mt -62.83 -30.29 49.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.167 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -97.32 -16.07 20.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.4 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 7.8 t -75.41 -34.22 61.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -68.28 -42.93 81.57 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.481 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 129.08 -140.69 11.91 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.454 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.469 ' O ' ' N ' ' A' ' 19' ' ' LYS . 15.6 mtt-85 -78.27 -25.23 46.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.863 0.363 . . . . 0.0 110.928 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 42.6 mtm180 -109.96 123.13 49.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.825 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 1.13 HG12 ' CE1' ' A' ' 24' ' ' PHE . 9.2 p -120.35 137.34 54.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.148 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 26.5 ttt180 -131.5 111.91 12.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.745 HD23 HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -124.83 145.71 49.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.474 ' CB ' ' HB3' ' A' ' 63' ' ' GLU . 2.0 tt -86.37 108.99 18.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.945 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.856 HD21 ' HB2' ' A' ' 59' ' ' ASP . 10.8 tp -105.57 156.14 18.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.594 ' HD3' ' CD2' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -126.25 128.22 46.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.817 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 27.4 tpt180 -97.77 129.79 44.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.575 ' HA2' ' CD2' ' A' ' 10' ' ' PHE . . . -88.78 47.32 3.4 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.455 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 8.8 t -74.05 -12.64 60.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.821 0.343 . . . . 0.0 111.145 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -76.95 175.66 53.69 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.543 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 99' ' ' GLY . 6.7 p -88.19 5.54 41.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.915 0.388 . . . . 0.0 110.889 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 98' ' ' SER . . . 37.16 -98.68 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.48 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 136.95 34.22 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.699 2.266 . . . . 0.0 112.335 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 50.4 m -81.89 42.95 0.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.859 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 70.1 p -99.05 155.14 17.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.828 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.501 -179.967 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.3 m -138.13 138.04 38.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.917 0.389 . . . . 0.0 110.8 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.6 p -54.35 96.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.852 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.72 -177.15 32.99 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.466 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.0 p -126.59 154.86 43.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.889 0.376 . . . . 0.0 110.895 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 7' ' ' GLY . 15.2 m -131.56 108.48 9.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.833 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 35.13 79.53 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.459 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -86.03 34.9 0.62 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.82 0.343 . . . . 0.0 110.925 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.596 ' CG ' ' CZ ' ' A' ' 12' ' ' TYR . 1.1 m-20 -111.44 171.15 7.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.584 ' CE1' ' HE2' ' A' ' 93' ' ' LYS . 50.5 p90 -114.67 -13.67 12.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -172.75 114.52 0.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.596 ' CZ ' ' CG ' ' A' ' 9' ' ' ASP . 1.9 m-30 -116.66 75.48 0.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.586 ' CD1' ' O ' ' A' ' 92' ' ' LEU . 19.6 p90 -108.08 151.29 26.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.882 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 68.1 p -94.23 159.71 15.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.163 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.2 t -116.87 149.54 19.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.174 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -135.51 117.23 15.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.7 mtm -151.57 171.78 17.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.844 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.47 ' O ' ' CD1' ' A' ' 24' ' ' PHE . 4.8 mt-10 -122.82 173.92 7.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.582 ' HE2' ' CE2' ' A' ' 24' ' ' PHE . 1.5 ttmm -82.45 153.45 25.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -122.68 -162.29 11.49 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.489 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -52.42 -51.86 56.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.863 0.363 . . . . 0.0 111.108 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.1 mmtm -111.32 30.62 6.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 105.15 -179.39 23.88 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 1.192 ' CE1' HG12 ' A' ' 88' ' ' VAL . 74.7 m-85 -51.56 -16.73 0.66 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.908 0.385 . . . . 0.0 110.868 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.89 44.28 38.11 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.501 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.634 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -153.31 132.72 12.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.853 0.359 . . . . 0.0 110.849 -179.856 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 31.7 t -106.81 161.22 14.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -125.54 169.8 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.1 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.559 ' HA ' ' CE1' ' A' ' 74' ' ' HIS . 1.8 ptp180 -149.53 162.97 39.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.837 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.31 -173.01 54.17 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.488 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 131.7 175.66 14.09 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.465 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 -57.21 -12.41 2.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.814 0.34 . . . . 0.0 110.861 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.475 ' CG ' ' HB ' ' A' ' 73' ' ' THR . 19.0 mt-10 -76.75 -28.9 55.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -118.17 6.92 12.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.9 mmmm 61.53 49.04 5.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.889 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.2 ptm -153.7 163.52 39.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.582 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 0.8 OUTLIER -68.31 171.12 7.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.561 HD12 ' HB ' ' A' ' 69' ' ' THR . 12.4 mt -95.4 117.05 29.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.582 ' CE1' ' O ' ' A' ' 37' ' ' ASP . 0.7 OUTLIER -116.75 168.17 10.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.4 t -82.13 106.57 13.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.131 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.561 HD13 ' C ' ' A' ' 41' ' ' LEU . 2.7 tm? -58.64 -65.23 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.458 ' HG2' ' N ' ' A' ' 43' ' ' LEU . 0.8 OUTLIER -149.97 150.46 31.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.696 HD11 ' HA ' ' A' ' 56' ' ' ARG . 12.4 mt -102.87 151.21 22.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.404 ' HB3' ' HA3' ' A' ' 47' ' ' GLY . . . -87.52 114.46 24.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.094 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.808 ' HA ' HD13 ' A' ' 50' ' ' ILE . 2.5 pp20? -54.61 -41.05 69.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -101.53 19.07 18.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.404 ' HA3' ' HB3' ' A' ' 44' ' ' ALA . . . -100.29 164.06 19.12 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.476 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -18.94 36.66 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.67 2.247 . . . . 0.0 112.346 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.42 -62.3 1.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.808 HD13 ' HA ' ' A' ' 45' ' ' GLU . 7.0 tt -51.2 -19.06 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.111 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -87.61 -27.32 22.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.04 -56.05 22.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.497 ' O ' ' CD ' ' A' ' 56' ' ' ARG . . . 95.19 -53.79 1.84 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.471 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.435 ' O ' ' CZ ' ' A' ' 13' ' ' PHE . 17.6 mmt85 -36.98 -29.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.75 0.31 . . . . 0.0 110.83 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.486 ' N ' ' O ' ' A' ' 53' ' ' GLY . 2.3 ptt? -127.64 137.7 52.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.696 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -134.67 -174.49 3.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.908 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 48.3 t -89.03 131.25 36.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.127 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 111.17 -7.32 28.91 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.482 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.848 ' HB2' HD21 ' A' ' 92' ' ' LEU . 1.3 m-20 -84.58 171.28 12.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.77 0.319 . . . . 0.0 110.887 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.488 ' HG2' ' CE2' ' A' ' 39' ' ' TYR . 0.4 OUTLIER -117.8 124.5 48.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.574 HG12 HD13 ' A' ' 92' ' ' LEU . 12.7 mt -95.61 119.89 44.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.635 ' N ' HD13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -98.38 -17.1 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.85 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.638 ' HA ' HG23 ' A' ' 69' ' ' THR . 7.6 tt0 -139.54 156.01 47.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.634 HG13 HG21 ' A' ' 69' ' ' THR . 89.7 mt -147.23 113.39 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.163 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.9 m120 57.88 44.43 19.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 66.3 32.03 80.81 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.478 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -131.72 125.52 32.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.882 0.372 . . . . 0.0 110.877 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 95.5 p -59.8 121.4 11.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.638 HG23 ' HA ' ' A' ' 63' ' ' GLU . 18.7 p -98.28 65.65 1.7 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.0 ptp180 -110.67 -34.08 6.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -129.12 50.89 2.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 4.9 mtm -124.3 143.74 50.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.475 ' HB ' ' CG ' ' A' ' 33' ' ' GLU . 9.7 p -91.71 143.65 26.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.559 ' CE1' ' HA ' ' A' ' 29' ' ' ARG . 11.1 t-160 -34.05 -37.4 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 73' ' ' THR . . . -60.0 -53.73 54.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.066 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' A' ' 73' ' ' THR . 9.6 tpp180 -48.38 -52.07 23.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.836 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -53.01 -50.96 63.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.422 HG22 ' O ' ' A' ' 78' ' ' ILE . 3.3 mm -57.17 -14.56 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.125 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.92 -41.97 8.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 25.7 mt -59.62 -36.1 75.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 26.3 mt -62.64 -36.09 73.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.145 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.3 ptpt -96.43 -11.5 25.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.2 t -83.47 -28.38 28.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.838 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -71.79 -37.28 61.27 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.472 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 127.91 -137.38 9.74 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.492 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 19' ' ' LYS . 22.5 mtt-85 -86.34 -21.92 26.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.779 0.323 . . . . 0.0 110.868 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 58.4 mtt180 -114.22 122.85 48.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 1.192 HG12 ' CE1' ' A' ' 24' ' ' PHE . 7.7 p -118.74 143.74 28.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.171 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 21.9 ttm180 -137.26 112.45 9.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.669 HD23 HG22 ' A' ' 88' ' ' VAL . 0.1 OUTLIER -121.38 154.48 36.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.567 HD22 ' CG1' ' A' ' 62' ' ' ILE . 2.2 tt -91.28 111.2 22.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.916 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.848 HD21 ' HB2' ' A' ' 59' ' ' ASP . 11.4 tp -117.4 156.01 28.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.614 ' HD2' HD12 ' A' ' 62' ' ' ILE . 9.1 mtpt -108.05 128.83 55.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.462 ' HG3' ' N ' ' A' ' 95' ' ' GLY . 23.9 tpt180 -114.24 160.26 19.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.462 ' N ' ' HG3' ' A' ' 94' ' ' ARG . . . 104.18 -7.24 47.57 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.519 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.01 -38.22 16.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.821 0.343 . . . . 0.0 111.138 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 55.61 163.2 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.481 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 82.9 p -170.46 128.98 0.84 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.888 0.375 . . . . 0.0 110.835 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -123.42 173.34 16.37 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 91.47 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.694 2.263 . . . . 0.0 112.342 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 52.5 p -105.71 94.11 5.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 27.9 p -120.0 158.44 26.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.532 -179.996 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.7 p -95.51 126.58 40.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.892 0.377 . . . . 0.0 110.831 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -116.33 -63.69 1.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.838 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 37.57 89.0 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.497 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.9 t -131.27 141.41 49.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.848 0.356 . . . . 0.0 110.875 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.4 t -138.86 123.35 18.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.865 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.19 79.68 0.22 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.529 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -82.74 86.85 6.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.798 0.332 . . . . 0.0 110.945 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.406 ' CG ' ' CE2' ' A' ' 12' ' ' TYR . 0.3 OUTLIER -148.29 -175.77 5.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.47 ' CG ' ' HB ' ' A' ' 96' ' ' THR . 2.3 m-85 -92.45 -53.52 4.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.882 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -175.07 104.95 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.406 ' CE2' ' CG ' ' A' ' 9' ' ' ASP . 7.3 m-85 -79.31 80.16 5.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.954 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.605 ' CD1' ' O ' ' A' ' 92' ' ' LEU . 13.7 p90 -107.81 150.01 27.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.854 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 77.2 p -92.93 161.48 14.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.14 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 47.7 t -121.23 148.66 24.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.137 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -135.81 118.24 15.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.8 mtm -151.52 171.35 17.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.942 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.417 ' O ' ' CD2' ' A' ' 24' ' ' PHE . 5.1 mt-10 -118.62 174.44 6.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.497 ' HE2' ' CE1' ' A' ' 24' ' ' PHE . 18.3 ttmt -86.59 154.43 21.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -114.58 -119.65 3.39 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.511 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.87 -56.82 3.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.851 0.357 . . . . 0.0 111.098 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.9 mtmm -115.27 30.32 7.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.937 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 128.41 -166.55 20.92 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.461 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.87 ' CE2' HG12 ' A' ' 88' ' ' VAL . 46.4 m-85 -81.78 40.28 0.59 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.887 0.375 . . . . 0.0 110.872 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.48 ' C ' ' O ' ' A' ' 24' ' ' PHE . . . 30.98 41.15 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.659 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -150.78 137.8 19.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.901 0.382 . . . . 0.0 110.859 -179.88 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.9 t -116.71 159.22 22.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.838 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -119.98 167.34 13.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.178 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.96 164.96 29.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.17 -162.41 53.63 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.492 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 132.47 171.7 12.84 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.536 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.468 ' NE ' ' HA ' ' A' ' 32' ' ' ARG . 3.3 mmp_? -55.59 -29.97 60.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.785 0.326 . . . . 0.0 110.876 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -60.9 -37.85 83.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -102.86 17.29 24.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.964 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp 50.81 46.8 25.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.902 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.8 ptm -151.84 162.95 40.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.93 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.537 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 1.9 m-20 -72.03 171.21 12.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.794 HD12 ' HB ' ' A' ' 69' ' ' THR . 8.4 mt -94.81 124.53 38.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.537 ' CE1' ' O ' ' A' ' 37' ' ' ASP . 2.3 m-85 -123.4 167.26 14.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.7 t -78.59 98.69 2.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.131 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.563 HD13 ' C ' ' A' ' 41' ' ' LEU . 0.9 OUTLIER -51.31 -61.42 2.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.464 ' HG2' ' N ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -155.64 151.56 27.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.934 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.464 ' N ' ' HG2' ' A' ' 42' ' ' ARG . 10.3 mt -107.08 145.44 32.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -84.59 119.12 24.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.88 ' HA ' HD13 ' A' ' 50' ' ' ILE . 17.2 pt-20 -61.95 -27.08 68.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.935 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -111.91 27.71 9.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -112.02 169.94 13.37 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.494 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -28.26 25.56 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.728 2.285 . . . . 0.0 112.334 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 52' ' ' ASN . . . -61.95 -68.85 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.079 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.88 HD13 ' HA ' ' A' ' 45' ' ' GLU . 4.8 tt -42.92 -25.13 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.134 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 90.3 mtt-85 -82.65 -35.25 27.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.472 ' N ' ' O ' ' A' ' 49' ' ' ALA . 0.3 OUTLIER -55.8 -60.14 3.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.508 ' O ' ' N ' ' A' ' 55' ' ' MET . . . 97.97 -51.79 1.29 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.452 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.505 ' O ' ' CE2' ' A' ' 13' ' ' PHE . 74.7 mtt-85 -33.76 -33.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.784 0.326 . . . . 0.0 110.904 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.523 ' HB2' HD22 ' A' ' 92' ' ' LEU . 9.0 ptm -126.8 149.98 49.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.422 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -138.83 -175.18 4.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 79.7 t -85.38 144.38 9.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 95.26 -25.58 23.59 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.507 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.905 ' CB ' HD21 ' A' ' 92' ' ' LEU . 30.9 m-20 -56.15 173.84 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.786 0.327 . . . . 0.0 110.868 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.7 tm0? -123.21 116.57 23.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.556 HG12 HD13 ' A' ' 92' ' ' LEU . 5.3 mt -86.64 130.15 37.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.489 ' N ' HD13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -107.82 -21.46 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.129 179.877 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.725 ' HA ' HG23 ' A' ' 69' ' ' THR . 16.0 tt0 -143.25 158.68 43.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.842 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.503 HG13 HG21 ' A' ' 69' ' ' THR . 78.1 mt -147.89 126.82 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.111 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 27.8 m-20 46.62 44.67 13.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.852 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 65.58 39.04 95.29 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.478 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -135.54 127.36 29.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.866 0.365 . . . . 0.0 110.876 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.4 m -64.54 109.01 1.83 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.794 ' HB ' HD12 ' A' ' 38' ' ' LEU . 24.8 p -82.09 50.31 1.55 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.433 ' HB2' ' NH1' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -102.05 -31.89 10.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -128.09 43.56 3.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 8.6 mtm -121.61 149.53 43.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 74' ' ' HIS . 30.9 p -99.44 149.0 23.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.161 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.406 ' C ' ' O ' ' A' ' 73' ' ' THR . 12.7 t-160 -36.72 -37.04 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.32 -53.55 55.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.082 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.503 ' NE ' HD21 ' A' ' 80' ' ' LEU . 6.6 tpt180 -49.05 -55.31 12.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -51.73 -46.44 64.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.131 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 3.4 mm -62.99 -18.97 22.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.146 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -93.43 -32.24 14.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.503 HD21 ' NE ' ' A' ' 76' ' ' ARG . 30.7 mt -66.71 -37.64 85.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.892 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 21.8 mt -62.0 -34.38 62.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 7.8 ptpt -96.82 -15.84 21.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.4 t -79.0 -22.85 44.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -77.81 -50.72 6.28 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.446 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 144.0 -131.87 4.62 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.497 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 19' ' ' LYS . 12.4 mtm-85 -90.58 -23.74 20.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.786 0.327 . . . . 0.0 110.828 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 67.1 mtp180 -112.18 125.61 54.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.87 HG12 ' CE2' ' A' ' 24' ' ' PHE . 14.9 p -120.13 138.09 51.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.114 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.403 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 9.2 ttp180 -131.38 113.4 13.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.633 HD23 HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -123.21 154.11 39.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.479 HD22 ' CG1' ' A' ' 62' ' ' ILE . 2.7 tt -91.15 110.07 21.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.905 HD21 ' CB ' ' A' ' 59' ' ' ASP . 9.8 tp -118.4 156.9 28.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.5 ' NZ ' HG21 ' A' ' 96' ' ' THR . 7.0 mtpm? -107.82 128.51 54.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.862 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.43 ' HG3' ' N ' ' A' ' 95' ' ' GLY . 16.4 tpt180 -91.41 159.44 15.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.43 ' N ' ' HG3' ' A' ' 94' ' ' ARG . . . 80.49 -37.88 2.26 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.444 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.5 HG21 ' NZ ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -69.41 -26.29 64.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.843 0.354 . . . . 0.0 111.105 -179.813 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -79.67 -141.79 2.48 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.461 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 37.0 m -71.83 117.41 13.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.9 0.381 . . . . 0.0 110.828 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -152.3 -128.46 1.38 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.476 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 82.57 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.682 2.255 . . . . 0.0 112.369 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 37.7 m -109.21 -48.29 3.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.829 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 10.2 t -41.83 143.2 0.56 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.823 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.477 -179.978 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.9 t -45.62 -48.27 14.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.833 0.349 . . . . 0.0 110.862 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.9 t -133.34 111.95 11.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.12 -90.5 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.472 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 m -103.08 157.93 16.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.866 0.365 . . . . 0.0 110.865 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.3 t -68.41 151.83 46.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.916 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.78 140.98 40.21 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.472 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -94.96 -44.42 7.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.821 0.343 . . . . 0.0 110.952 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.31 -175.5 0.48 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.459 ' CE2' ' HA2' ' A' ' 95' ' ' GLY . 52.7 m-85 -74.45 -176.06 2.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -59.78 100.4 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -73.88 83.52 1.69 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.503 ' CE1' ' O ' ' A' ' 54' ' ' ARG . 9.5 p90 -107.66 147.86 30.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.549 HG21 HH21 ' A' ' 89' ' ' ARG . 22.3 p -91.73 155.0 18.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.136 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 84.6 t -111.52 143.79 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -135.06 120.05 18.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.8 mtm -154.67 174.23 15.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.472 ' O ' ' CD2' ' A' ' 24' ' ' PHE . 4.4 mt-10 -118.85 174.05 6.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 86' ' ' ARG . 9.8 ttpt -93.04 143.48 26.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.943 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -98.47 -117.68 3.83 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.468 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.12 -56.93 2.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.844 0.354 . . . . 0.0 111.096 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -107.69 31.08 5.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.858 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 121.43 -169.31 14.46 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.472 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.94 ' CE2' HG12 ' A' ' 88' ' ' VAL . 40.7 m-85 -78.89 41.9 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.928 0.394 . . . . 0.0 110.889 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 24' ' ' PHE . . . 31.02 42.25 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.455 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.655 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -153.29 136.88 15.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.832 0.349 . . . . 0.0 110.857 -179.859 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.409 ' HB3' ' HB3' ' A' ' 41' ' ' LEU . 1.1 m -111.69 160.88 16.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -124.85 170.26 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.166 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.647 ' HB3' HD23 ' A' ' 41' ' ' LEU . 4.9 ptp85 -151.4 170.03 20.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.5 -172.47 48.12 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.473 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 130.4 171.68 12.97 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.533 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 -48.78 -28.11 3.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.75 0.31 . . . . 0.0 110.873 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -61.73 -38.51 88.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -108.32 13.11 25.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt 54.66 48.84 19.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.91 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.6 ptm -153.44 165.02 37.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.601 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 3.7 m-20 -70.19 171.34 9.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.616 HD12 ' HB ' ' A' ' 69' ' ' THR . 6.8 mt -96.56 122.64 39.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.601 ' CE1' ' O ' ' A' ' 37' ' ' ASP . 0.5 OUTLIER -124.84 166.76 15.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.925 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.2 t -76.39 110.99 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.114 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.647 HD23 ' HB3' ' A' ' 29' ' ' ARG . 1.9 tm? -67.69 -62.83 1.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.937 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.475 ' HG2' ' N ' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -146.51 147.97 31.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.516 HD12 HG23 ' A' ' 57' ' ' VAL . 9.3 mt -109.39 147.81 32.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -84.98 116.95 23.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.072 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.826 ' HA ' HD13 ' A' ' 50' ' ' ILE . 12.0 pt-20 -61.52 -25.96 67.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -116.31 26.8 9.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -110.13 172.52 15.75 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.502 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -32.13 19.37 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.671 2.247 . . . . 0.0 112.374 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 52' ' ' ASN . . . -58.71 -69.23 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.826 HD13 ' HA ' ' A' ' 45' ' ' GLU . 5.5 tt -44.75 -22.97 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.132 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 66.7 mtp85 -85.56 -33.21 21.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.849 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 49' ' ' ALA . 0.3 OUTLIER -56.32 -59.94 4.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 -179.895 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.501 ' O ' ' N ' ' A' ' 55' ' ' MET . . . 100.2 -53.21 0.95 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.503 ' O ' ' CE1' ' A' ' 13' ' ' PHE . 22.2 mmt85 -35.99 -30.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.82 0.343 . . . . 0.0 110.874 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.582 ' HB2' HD22 ' A' ' 92' ' ' LEU . 5.6 ptm -124.92 147.02 49.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.423 ' HD3' ' C ' ' A' ' 55' ' ' MET . 1.2 mpp_? -138.78 -179.06 5.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.516 HG23 HD12 ' A' ' 43' ' ' LEU . 98.8 t -85.94 121.24 37.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.117 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 115.07 -10.65 20.46 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.516 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.78 ' CB ' HD21 ' A' ' 92' ' ' LEU . 0.9 OUTLIER -74.62 166.21 23.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.736 0.303 . . . . 0.0 110.874 -179.919 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.502 ' NE2' ' O ' ' A' ' 61' ' ' ILE . 2.4 tm0? -113.54 115.54 28.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.532 ' HA ' HD12 ' A' ' 92' ' ' LEU . 6.5 mt -81.12 119.87 31.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.59 ' N ' HD13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -96.14 -28.1 3.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.873 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.582 ' HA ' HG23 ' A' ' 69' ' ' THR . 20.6 tt0 -134.07 155.08 50.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.739 HG13 HG21 ' A' ' 69' ' ' THR . 30.3 mt -143.24 119.2 4.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.159 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.489 ' ND2' ' O ' ' A' ' 80' ' ' LEU . 29.8 m-20 54.07 30.34 11.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.1 32.94 57.89 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.481 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -132.59 127.78 35.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.953 0.406 . . . . 0.0 110.84 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.4 m -51.1 126.65 17.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.846 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.739 HG21 HG13 ' A' ' 64' ' ' ILE . 18.4 p -101.58 50.0 0.86 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.119 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.8 ttt-85 -104.1 -39.59 6.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -116.21 47.91 1.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 5.3 mtm -128.32 148.37 50.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 46.0 p -101.24 152.41 20.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.423 ' CE1' ' HA ' ' A' ' 29' ' ' ARG . 18.5 t-160 -39.82 -37.61 0.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.94 -47.73 83.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.079 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.426 ' NH1' ' OE2' ' A' ' 79' ' ' GLU . 6.7 tpt180 -52.65 -64.6 0.77 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.836 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -46.78 -37.61 8.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 10.4 mm -64.81 -31.52 54.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.145 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.426 ' OE2' ' NH1' ' A' ' 76' ' ' ARG . 2.0 pt-20 -87.78 -23.43 24.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.489 ' O ' ' ND2' ' A' ' 65' ' ' ASN . 51.5 mt -69.11 -42.02 76.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.901 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.544 HD13 ' CZ ' ' A' ' 26' ' ' PHE . 21.7 mt -61.01 -32.46 52.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.078 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -97.57 -16.92 19.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 28.8 t -71.86 -36.86 70.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -68.45 -48.53 50.66 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.475 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 143.0 -129.35 3.74 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.473 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.466 ' O ' ' N ' ' A' ' 19' ' ' LYS . 38.7 mtt180 -94.52 -15.72 23.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.85 0.357 . . . . 0.0 110.895 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 32.6 mtt180 -113.36 124.14 51.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.94 HG12 ' CE2' ' A' ' 24' ' ' PHE . 11.6 p -122.42 147.06 26.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.099 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.549 HH21 HG21 ' A' ' 14' ' ' THR . 32.7 ttt180 -141.23 111.85 7.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.637 HD23 HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -125.66 147.93 49.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.539 HD23 ' N ' ' A' ' 92' ' ' LEU . 2.4 tt -85.66 120.77 27.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.78 HD21 ' CB ' ' A' ' 59' ' ' ASP . 7.0 tp -130.41 156.65 44.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 18.9 pttm -141.8 128.99 20.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.94 141.35 30.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.459 ' HA2' ' CE2' ' A' ' 10' ' ' PHE . . . -80.52 65.66 3.83 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.497 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.7 t -104.83 -15.27 15.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.784 0.326 . . . . 0.0 111.117 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 72.82 -76.46 0.84 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.505 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 36.7 p -118.13 -179.53 3.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.925 0.393 . . . . 0.0 110.868 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -58.23 -80.38 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.43 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 114.07 3.59 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.685 2.256 . . . . 0.0 112.327 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.4 m -118.26 152.32 35.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.815 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.4 t 56.93 45.86 20.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.818 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.48 -179.987 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.9 p -142.61 153.61 43.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.899 0.381 . . . . 0.0 110.859 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.8 m -73.65 148.22 43.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.06 -51.59 4.29 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.504 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.4 t -47.7 137.4 9.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.88 0.372 . . . . 0.0 110.857 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.7 p 42.64 38.47 1.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.35 58.22 0.63 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.497 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -120.64 -49.57 2.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.793 0.33 . . . . 0.0 110.936 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.437 ' HB2' ' CZ ' ' A' ' 12' ' ' TYR . 1.0 OUTLIER -83.65 -177.35 6.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 179.933 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -55.12 -178.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -58.82 119.69 7.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.437 ' CZ ' ' HB2' ' A' ' 9' ' ' ASP . 8.5 m-85 -90.37 85.6 6.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.609 ' CE2' ' O ' ' A' ' 92' ' ' LEU . 6.1 p90 -109.13 146.89 33.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.877 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 37.9 p -93.27 156.49 16.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.116 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.424 HG22 ' HE1' ' A' ' 13' ' ' PHE . 63.2 t -113.11 140.71 31.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -135.22 117.91 16.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.2 mtm -151.24 171.16 17.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -123.45 175.23 6.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.4 ' CB ' ' HG2' ' A' ' 86' ' ' ARG . 0.1 OUTLIER -72.9 160.18 32.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.916 179.944 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -131.19 -158.88 9.34 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.479 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -52.17 -56.42 14.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.843 0.354 . . . . 0.0 111.066 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.1 mtmm -112.47 28.3 8.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 115.12 -169.86 13.03 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.434 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.82 ' CE1' HG12 ' A' ' 88' ' ' VAL . 88.3 m-85 -58.87 -20.7 53.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.937 0.398 . . . . 0.0 110.905 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.82 39.99 27.25 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.472 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.649 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -153.11 136.23 15.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.871 0.367 . . . . 0.0 110.889 -179.829 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 27.2 t -110.55 172.22 6.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -136.2 170.31 18.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.498 ' HA ' ' CE1' ' A' ' 74' ' ' HIS . 3.1 ptp85 -149.14 169.7 20.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.99 -163.51 54.61 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.452 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 127.87 -179.99 16.17 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.508 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.431 ' NE ' ' HA ' ' A' ' 32' ' ' ARG . 3.9 mmp_? -60.67 -16.87 43.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.785 0.326 . . . . 0.0 110.86 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -71.62 -34.27 69.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -111.85 11.81 20.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.951 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm 55.95 49.68 15.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.878 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.3 ptm -152.49 163.18 40.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.523 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 17.9 m-20 -68.09 170.68 8.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.606 HD12 ' HB ' ' A' ' 69' ' ' THR . 9.5 mt -95.24 117.29 30.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.579 ' CE2' ' HG2' ' A' ' 60' ' ' GLN . 1.7 m-85 -117.79 164.84 14.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 27.1 t -78.89 116.76 23.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.121 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.53 HD13 ' C ' ' A' ' 41' ' ' LEU . 1.8 tm? -69.13 -55.64 10.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.461 ' HG2' ' N ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -158.5 150.42 21.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.719 HD11 ' HA ' ' A' ' 56' ' ' ARG . 10.2 mt -104.1 151.28 23.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.428 ' HB3' ' HA3' ' A' ' 47' ' ' GLY . . . -86.99 112.97 22.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.099 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.865 ' HA ' HD13 ' A' ' 50' ' ' ILE . 11.5 pt-20 -58.43 -19.99 41.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -118.83 10.23 12.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.843 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.428 ' HA3' ' HB3' ' A' ' 44' ' ' ALA . . . -93.75 164.22 26.36 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.54 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -16.78 37.6 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.673 2.248 . . . . 0.0 112.339 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.86 -57.96 3.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.079 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.865 HD13 ' HA ' ' A' ' 45' ' ' GLU . 6.8 tt -54.7 -17.1 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -91.59 -21.17 20.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.847 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.439 ' ND2' ' H ' ' A' ' 55' ' ' MET . 0.5 OUTLIER -64.94 -55.65 17.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 96.64 -53.46 1.48 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.524 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.601 ' O ' ' CZ ' ' A' ' 13' ' ' PHE . 2.5 mmp_? -41.38 -29.72 0.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.835 0.35 . . . . 0.0 110.852 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.501 ' HB2' HD22 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -128.1 139.81 52.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.719 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -135.13 176.68 8.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -86.74 120.88 36.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.122 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 118.17 8.11 10.74 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.515 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.729 ' HB2' HD21 ' A' ' 92' ' ' LEU . 0.7 OUTLIER -97.54 -175.28 3.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.757 0.313 . . . . 0.0 110.884 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.579 ' HG2' ' CE2' ' A' ' 39' ' ' TYR . 1.3 tm0? -122.61 123.07 40.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.916 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.626 HG12 HD13 ' A' ' 92' ' ' LEU . 9.9 mt -93.95 121.45 44.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.514 ' N ' HD13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -102.86 -19.91 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.122 179.857 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.461 ' HG2' ' N ' ' A' ' 64' ' ' ILE . 27.4 tt0 -138.2 153.65 49.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.57 HG13 HG21 ' A' ' 69' ' ' THR . 85.0 mt -145.9 123.46 4.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.126 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' A' ' 80' ' ' LEU . 27.6 m-20 45.17 52.2 8.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 55.08 40.85 75.77 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.485 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -143.19 124.27 14.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.815 0.341 . . . . 0.0 110.9 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 60.0 p -56.22 132.05 49.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.606 ' HB ' HD12 ' A' ' 38' ' ' LEU . 10.6 p -107.97 55.62 0.64 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.137 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 20.4 ptp180 -102.62 -40.6 6.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.6 p-10 -118.03 48.25 1.43 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.838 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 6.7 mtm -124.31 153.77 41.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 75' ' ' ALA . 22.3 p -103.24 145.9 29.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.167 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.498 ' CE1' ' HA ' ' A' ' 29' ' ' ARG . 13.2 t-160 -34.25 -33.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.823 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 73' ' ' THR . . . -64.54 -53.78 42.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.111 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.507 ' CZ ' HD21 ' A' ' 80' ' ' LEU . 9.0 tpt180 -47.36 -53.56 13.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.834 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -53.26 -48.21 68.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.088 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 3.2 mm -62.15 -17.99 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -93.96 -33.29 13.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.507 HD21 ' CZ ' ' A' ' 76' ' ' ARG . 28.7 mt -66.85 -38.39 86.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.927 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 22.6 mt -61.0 -32.3 52.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -97.16 -12.86 22.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 30.3 t -80.89 -31.54 35.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -72.74 -33.39 60.44 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.486 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 124.32 -128.86 6.95 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.485 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.448 ' O ' ' CE1' ' A' ' 24' ' ' PHE . 9.3 mtt-85 -95.71 -18.45 20.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.837 0.351 . . . . 0.0 110.929 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 28.6 mtt180 -109.55 122.88 48.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.82 HG12 ' CE1' ' A' ' 24' ' ' PHE . 12.5 p -124.7 134.78 65.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.157 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -128.48 121.05 28.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.491 HD23 HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -133.33 147.29 51.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.963 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.42 HD23 ' N ' ' A' ' 92' ' ' LEU . 1.3 tt -84.29 110.48 18.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.729 HD21 ' HB2' ' A' ' 59' ' ' ASP . 7.9 tp -122.77 141.01 52.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.449 ' NZ ' ' OE1' ' A' ' 60' ' ' GLN . 13.1 pttm -126.54 129.24 48.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 7.2 tpp85 -88.08 145.24 26.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -90.8 53.24 3.33 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.473 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 12.5 t -88.65 -4.91 58.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.878 0.37 . . . . 0.0 111.112 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -129.15 132.45 7.16 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.467 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.4 m -89.55 37.29 0.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.913 0.387 . . . . 0.0 110.853 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 141.04 136.23 3.28 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.523 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -91.46 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.713 2.275 . . . . 0.0 112.314 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 79.8 p -113.38 87.53 2.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 103' ' ' GLY . 9.1 t -133.91 146.55 50.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.862 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 102' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.492 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.4 m 40.61 42.36 1.34 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.864 0.364 . . . . 0.0 110.824 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.9 t -108.98 157.98 18.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.96 92.21 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.44 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 p -157.47 129.58 7.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.859 0.361 . . . . 0.0 110.877 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.9 t -58.57 116.96 4.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.96 84.1 0.11 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.52 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -124.51 34.69 4.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.833 0.349 . . . . 0.0 110.885 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.69 126.26 34.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -52.96 -61.95 1.96 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -165.3 121.95 1.45 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.598 ' CE1' ' HD3' ' A' ' 93' ' ' LYS . 4.9 m-85 -90.17 84.26 6.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.938 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.608 ' CD1' ' O ' ' A' ' 92' ' ' LEU . 16.8 p90 -107.8 159.99 16.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.854 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 70.7 p -102.64 160.13 14.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.173 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.469 HG21 ' HB3' ' A' ' 55' ' ' MET . 61.3 t -117.03 146.2 21.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.129 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -135.94 114.82 12.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.1 mtm -149.09 162.61 39.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -116.31 175.25 5.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.86 161.46 29.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.938 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -131.86 -149.91 6.47 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.528 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.68 -55.76 29.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.845 0.355 . . . . 0.0 111.088 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.0 mmtp -112.46 30.71 6.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 111.59 -168.71 12.88 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.465 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.863 ' CE1' HG12 ' A' ' 88' ' ' VAL . 89.9 m-85 -60.31 -17.39 42.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.876 0.369 . . . . 0.0 110.873 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.56 42.19 55.83 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.504 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.643 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -153.17 140.22 19.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.872 0.368 . . . . 0.0 110.865 -179.846 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.0 t -115.46 170.44 8.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.411 HG22 ' CD1' ' A' ' 61' ' ' ILE . 0.4 OUTLIER -135.15 169.83 20.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.111 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.447 ' HB3' HD23 ' A' ' 41' ' ' LEU . 6.5 ptp180 -146.13 171.21 15.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 66.16 -172.56 25.75 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.446 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 138.61 175.08 13.75 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.505 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.447 ' NE ' ' HA ' ' A' ' 32' ' ' ARG . 2.3 mmp_? -56.67 -14.77 3.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.765 0.317 . . . . 0.0 110.876 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -75.57 -34.13 60.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -110.34 13.52 22.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.84 48.91 17.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.3 ptm -153.79 161.59 41.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.486 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . 2.1 m-20 -66.72 170.73 6.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.886 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.86 HD12 ' HB ' ' A' ' 69' ' ' THR . 10.6 mt -98.19 117.92 33.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.601 ' CE2' ' HG2' ' A' ' 60' ' ' GLN . 2.5 m-85 -117.29 168.43 10.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.963 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 38.7 t -81.67 109.38 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.164 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.55 HD13 ' C ' ' A' ' 41' ' ' LEU . 1.3 tm? -61.26 -59.42 5.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.943 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.464 ' HG2' ' N ' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -157.55 151.01 23.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.592 HD11 ' HA ' ' A' ' 56' ' ' ARG . 12.2 mt -105.41 151.08 24.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.0 117.59 25.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.806 ' HA ' HD13 ' A' ' 50' ' ' ILE . 12.2 pt-20 -62.93 -19.42 64.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -118.57 22.0 12.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -109.41 168.57 13.33 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.469 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -26.17 27.76 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.729 2.286 . . . . 0.0 112.313 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.88 -64.8 0.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.11 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.806 HD13 ' HA ' ' A' ' 45' ' ' GLU . 7.0 tt -49.03 -23.99 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 67.5 mtp180 -82.48 -30.04 30.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -59.44 -60.4 3.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.517 ' O ' ' N ' ' A' ' 55' ' ' MET . . . 99.36 -53.7 1.01 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.494 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.455 ' O ' ' CZ ' ' A' ' 13' ' ' PHE . 60.2 mtt85 -34.32 -32.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.819 0.343 . . . . 0.0 110.872 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.548 ' HB2' HD22 ' A' ' 92' ' ' LEU . 9.9 ptm -128.77 144.46 51.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.592 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.6 OUTLIER -134.65 -174.27 3.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 99.2 t -86.47 140.49 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 96.1 -16.72 60.61 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.511 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.919 ' CB ' HD21 ' A' ' 92' ' ' LEU . 43.3 m-20 -63.12 -179.17 0.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.776 0.322 . . . . 0.0 110.859 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.601 ' HG2' ' CE2' ' A' ' 39' ' ' TYR . 2.1 tm0? -123.44 121.58 36.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.595 HG12 HD13 ' A' ' 92' ' ' LEU . 7.9 mt -96.6 130.18 45.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.124 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.731 ' N ' HD13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -115.47 -14.74 10.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.136 179.838 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.546 ' HA ' HG23 ' A' ' 69' ' ' THR . 12.0 tt0 -139.54 151.19 45.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.501 HD13 ' HB1' ' A' ' 77' ' ' ALA . 62.9 mt -148.04 110.65 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.147 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 35.7 m-20 59.07 26.27 14.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.48 37.97 22.41 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.463 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -123.75 157.39 34.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.88 0.371 . . . . 0.0 110.869 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.405 ' O ' ' HG3' ' A' ' 72' ' ' MET . 1.7 m -82.38 74.6 9.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.839 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.86 ' HB ' HD12 ' A' ' 38' ' ' LEU . 42.3 p -40.25 -28.54 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.16 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' A' ' 68' ' ' SER . 9.5 ptm180 -51.36 -43.87 61.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -105.99 51.91 0.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.405 ' HG3' ' O ' ' A' ' 68' ' ' SER . 4.2 mtm -146.21 145.3 30.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.2 p -91.45 158.11 16.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.402 ' O ' HG12 ' A' ' 78' ' ' ILE . 18.6 t-160 -48.5 -32.68 8.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.75 -50.04 68.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.098 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.482 ' NE ' HD21 ' A' ' 80' ' ' LEU . 8.0 tpt180 -53.33 -61.84 2.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.501 ' HB1' HD13 ' A' ' 64' ' ' ILE . . . -46.03 -29.81 1.61 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.087 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.402 HG12 ' O ' ' A' ' 74' ' ' HIS . 4.6 mm -77.01 -30.99 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.152 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 76' ' ' ARG . 3.3 pt-20 -84.94 -23.13 28.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.482 HD21 ' NE ' ' A' ' 76' ' ' ARG . 64.2 mt -71.4 -41.3 69.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 16.1 mt -59.86 -31.1 46.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 11.4 ptpt -97.16 -14.54 21.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 31.7 t -82.07 -31.88 30.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -70.19 -41.18 70.2 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.512 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 133.8 -128.09 4.84 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.471 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.514 ' O ' ' CE1' ' A' ' 24' ' ' PHE . 3.9 mtm-85 -97.87 -21.72 16.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.79 0.328 . . . . 0.0 110.886 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 53.3 mtm180 -109.5 122.8 48.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.863 HG12 ' CE1' ' A' ' 24' ' ' PHE . 10.4 p -123.78 143.81 35.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.148 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.409 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 21.9 ttm180 -135.95 115.25 12.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.617 HD23 HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -125.97 149.84 48.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.492 HD22 ' CG1' ' A' ' 62' ' ' ILE . 3.3 tt -86.94 112.73 22.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.933 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.919 HD21 ' CB ' ' A' ' 59' ' ' ASP . 11.9 tp -119.25 159.2 24.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.947 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.598 ' HD3' ' CE1' ' A' ' 12' ' ' TYR . 0.7 OUTLIER -103.77 128.58 51.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 179.825 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.447 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 7.0 tmm_? -101.47 121.93 42.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -92.78 79.33 1.13 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.476 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.6 t -75.78 -13.3 60.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.864 0.364 . . . . 0.0 111.196 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -121.03 107.6 1.26 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.502 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.0 m -94.44 39.96 1.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.869 0.366 . . . . 0.0 110.865 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 123.57 150.41 7.99 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.492 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -177.99 2.15 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.647 2.231 . . . . 0.0 112.356 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 22.3 t -68.71 -55.7 10.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.9 m -53.95 102.35 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.902 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.463 -179.967 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m 50.71 38.07 18.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.861 0.362 . . . . 0.0 110.836 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.5 p -68.16 -42.52 79.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.43 -146.04 4.48 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.524 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 6' ' ' SER . 92.7 p -99.44 42.85 1.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.861 0.363 . . . . 0.0 110.844 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 5' ' ' SER . 2.0 t -35.32 147.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.807 -179.816 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.09 132.14 10.93 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.503 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -105.23 115.44 30.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.771 0.319 . . . . 0.0 110.948 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -104.01 149.19 25.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.435 ' O ' ' CG ' ' A' ' 11' ' ' ASP . 2.1 m-85 -57.81 -60.49 3.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.435 ' CG ' ' O ' ' A' ' 10' ' ' PHE . 4.4 m-20 -174.97 115.03 0.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -69.65 83.16 0.43 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.965 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.619 ' CD2' ' O ' ' A' ' 92' ' ' LEU . 17.5 p90 -108.27 157.16 18.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 57.5 p -101.1 154.6 18.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.134 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.473 HG21 ' HB3' ' A' ' 55' ' ' MET . 69.0 t -109.0 143.39 19.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.152 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -136.18 106.18 6.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.442 ' HG3' HG12 ' A' ' 15' ' ' VAL . 3.2 mtm -141.95 179.79 6.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.541 ' C ' ' CD2' ' A' ' 24' ' ' PHE . 6.9 mt-10 -123.51 169.73 11.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.507 ' HE2' ' CE1' ' A' ' 24' ' ' PHE . 8.3 ttmm -73.9 157.25 36.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -132.72 -119.92 2.08 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.467 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.96 -57.01 2.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.836 0.351 . . . . 0.0 111.106 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.3 mmtt -103.14 31.2 4.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . 86.26 101.44 0.76 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.539 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.955 ' CE2' HG12 ' A' ' 88' ' ' VAL . 74.2 m-85 38.27 28.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.952 0.406 . . . . 0.0 110.925 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 23' ' ' GLY . . . 33.06 46.61 0.31 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.496 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.658 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -153.2 139.4 18.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.861 0.362 . . . . 0.0 110.894 -179.856 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.489 ' HB3' ' CD ' ' A' ' 42' ' ' ARG . 47.7 t -114.9 170.27 8.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.887 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -132.64 169.95 20.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.155 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.44 ' HB3' HD23 ' A' ' 41' ' ' LEU . 1.7 ptp180 -149.33 170.91 17.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 69.38 -163.67 51.15 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.472 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 127.25 163.22 11.38 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.458 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.422 ' NE ' ' HA ' ' A' ' 32' ' ' ARG . 4.0 mmp_? -43.93 -27.44 0.36 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.789 0.328 . . . . 0.0 110.879 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.463 ' CD ' ' O ' ' A' ' 33' ' ' GLU . 0.4 OUTLIER -60.19 -41.59 93.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.917 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.46 ' CD1' ' OE1' ' A' ' 33' ' ' GLU . 6.0 m-85 -104.87 15.94 26.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.959 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 45.1 mmtt 55.2 46.9 22.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.894 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.5 ptm -152.4 160.09 43.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.489 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 0.8 OUTLIER -65.92 170.8 5.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.73 HD12 ' HB ' ' A' ' 69' ' ' THR . 9.4 mt -96.13 119.2 34.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.581 ' CE2' ' HG2' ' A' ' 60' ' ' GLN . 2.0 m-85 -115.9 167.26 11.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 20.4 t -85.4 100.97 9.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.131 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.494 HD13 ' C ' ' A' ' 41' ' ' LEU . 1.1 tm? -46.88 -61.33 1.91 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.944 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.489 ' CD ' ' HB3' ' A' ' 27' ' ' SER . 0.0 OUTLIER -156.52 166.11 34.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.755 HD11 ' HA ' ' A' ' 56' ' ' ARG . 10.7 mt -115.78 150.2 37.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.956 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -88.22 115.76 25.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.094 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.87 ' HA ' HD13 ' A' ' 50' ' ' ILE . 1.9 pp20? -55.63 -28.35 54.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.428 ' O ' ' CG ' ' A' ' 46' ' ' ASP . 26.2 t70 -114.13 27.66 9.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -109.45 169.87 14.05 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.487 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -25.79 28.14 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.685 2.256 . . . . 0.0 112.337 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 52' ' ' ASN . . . -66.45 -67.46 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.117 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.87 HD13 ' HA ' ' A' ' 45' ' ' GLU . 6.6 tt -46.45 -23.52 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.071 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 56.5 mtp180 -87.38 -29.65 21.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 49' ' ' ALA . 0.3 OUTLIER -60.57 -60.28 4.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.501 ' O ' ' N ' ' A' ' 55' ' ' MET . . . 100.63 -54.07 0.87 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.482 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.565 ' O ' ' CE1' ' A' ' 13' ' ' PHE . 57.3 mtt-85 -35.2 -31.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.792 0.329 . . . . 0.0 110.837 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.501 ' N ' ' O ' ' A' ' 53' ' ' GLY . 4.8 ptm -132.88 145.19 50.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.755 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -141.15 164.34 30.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.908 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.432 HG12 ' H ' ' A' ' 57' ' ' VAL . 0.2 OUTLIER -69.34 133.66 31.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.128 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 105.38 12.41 27.01 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.479 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.778 ' CB ' HD21 ' A' ' 92' ' ' LEU . 1.1 m-20 -102.56 179.94 4.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.756 0.312 . . . . 0.0 110.873 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.581 ' HG2' ' CE2' ' A' ' 39' ' ' TYR . 0.9 OUTLIER -122.22 119.88 32.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.645 HG12 HD13 ' A' ' 92' ' ' LEU . 9.7 mt -93.88 123.99 46.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.136 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.621 ' N ' HD13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -101.1 -26.35 3.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 179.847 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.746 ' HA ' HG23 ' A' ' 69' ' ' THR . 33.9 tt0 -134.96 156.57 48.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.563 HG13 HG21 ' A' ' 69' ' ' THR . 82.4 mt -146.74 130.12 9.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.135 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.492 ' ND2' ' O ' ' A' ' 80' ' ' LEU . 2.0 m-20 48.66 41.66 18.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 66.47 27.85 73.37 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -130.07 128.96 42.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.873 0.368 . . . . 0.0 110.877 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 t -60.12 126.44 27.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.746 HG23 ' HA ' ' A' ' 63' ' ' GLU . 14.5 p -93.16 49.32 1.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.097 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.6 ttt180 -97.4 -40.1 8.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -119.41 51.34 1.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 5.2 mtm -131.11 145.56 52.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.485 ' O ' ' N ' ' A' ' 75' ' ' ALA . 17.2 p -100.81 148.71 24.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.441 ' C ' ' O ' ' A' ' 73' ' ' THR . 15.4 t-160 -34.65 -33.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 73' ' ' THR . . . -64.68 -54.25 34.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 73' ' ' THR . 8.9 tpp180 -48.93 -52.14 26.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.55 -46.71 66.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.071 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.447 HG22 ' O ' ' A' ' 78' ' ' ILE . 3.1 mm -63.7 -12.45 11.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.093 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 83' ' ' SER . 0.8 OUTLIER -95.43 -41.67 8.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.492 ' O ' ' ND2' ' A' ' 65' ' ' ASN . 61.4 mt -59.84 -37.7 79.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 23.4 mt -61.46 -34.21 60.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 5.1 ptpt -97.55 -17.71 19.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.956 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 79' ' ' GLU . 1.6 m -84.33 -13.47 52.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -86.39 -34.08 12.8 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.464 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 123.92 -141.23 13.35 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.492 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 19' ' ' LYS . 21.0 mtt180 -85.63 -21.31 28.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.781 0.324 . . . . 0.0 110.87 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -113.13 126.55 55.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.955 HG12 ' CE2' ' A' ' 24' ' ' PHE . 14.8 p -122.97 149.47 26.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.414 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 14.4 ttm180 -141.38 124.67 16.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.517 HD23 HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -137.17 148.46 46.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.516 HD23 ' N ' ' A' ' 92' ' ' LEU . 2.6 tt -83.39 117.08 22.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.924 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.778 HD21 ' CB ' ' A' ' 59' ' ' ASP . 7.7 tp -132.32 154.65 49.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.436 ' NZ ' HD12 ' A' ' 62' ' ' ILE . 4.2 mtmt -121.51 129.62 53.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.48 ' HD3' ' N ' ' A' ' 95' ' ' GLY . 1.5 tmt_? -89.54 130.64 35.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.868 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.48 ' N ' ' HD3' ' A' ' 94' ' ' ARG . . . -76.33 50.15 2.74 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.476 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 10.0 t -88.74 -26.37 21.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.822 0.344 . . . . 0.0 111.14 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -94.73 41.18 2.58 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.478 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.9 p -121.32 132.72 54.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.949 0.404 . . . . 0.0 110.848 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 64.0 -133.18 40.09 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.454 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 136.59 33.36 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.707 2.272 . . . . 0.0 112.305 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 38.7 t -83.89 40.38 0.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.838 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 50.7 m -140.18 143.03 35.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.447 179.986 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -86.54 42.08 0.98 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.904 0.383 . . . . 0.0 110.843 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.4 p -44.81 153.68 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.836 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -164.64 61.19 0.25 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.51 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 4' ' ' GLY . 2.6 t 37.49 36.57 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.838 0.352 . . . . 0.0 110.854 -179.711 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.7 m -113.56 83.39 1.84 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.819 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.17 -102.54 2.58 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.511 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.434 ' HA ' ' CE2' ' A' ' 12' ' ' TYR . 1.3 pt20 -66.66 115.03 6.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.778 0.323 . . . . 0.0 110.922 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -68.42 -75.39 0.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.819 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.441 ' CE1' ' NZ ' ' A' ' 93' ' ' LYS . 19.6 p90 -175.47 139.41 0.44 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 59.55 54.97 4.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.434 ' CE2' ' HA ' ' A' ' 8' ' ' GLN . 2.9 m-30 -88.89 94.49 9.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.971 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.537 ' CD1' ' O ' ' A' ' 92' ' ' LEU . 50.8 p90 -108.24 168.64 9.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 57.4 p -105.48 158.38 16.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.159 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 58.8 t -118.41 142.5 32.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -135.55 113.09 10.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.5 mtm -149.59 174.19 12.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -119.3 175.11 5.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 86' ' ' ARG . 21.2 ttmt -85.19 163.17 18.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -118.96 -123.19 3.17 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.5 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.25 -55.02 4.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.848 0.356 . . . . 0.0 111.101 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.29 -3.07 15.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.94 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 163.82 -162.04 34.76 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.492 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.951 ' CE2' HG12 ' A' ' 88' ' ' VAL . 50.3 m-85 -82.92 37.29 0.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.901 0.382 . . . . 0.0 110.916 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 24' ' ' PHE . . . 35.36 39.46 0.22 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.505 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.651 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -152.7 138.94 18.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.853 0.359 . . . . 0.0 110.864 -179.832 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.0 t -113.17 172.13 7.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -135.61 170.62 18.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.096 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.607 ' HB3' HD23 ' A' ' 41' ' ' LEU . 9.3 ptt180 -150.9 169.21 22.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.904 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.21 -171.3 55.12 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.496 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 131.65 172.72 13.15 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.456 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.426 ' HG3' ' C ' ' A' ' 71' ' ' ASP . 7.6 mmm180 -53.8 -22.4 9.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.756 0.312 . . . . 0.0 110.869 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -65.42 -35.68 81.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -109.37 3.76 21.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.938 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm 63.7 44.57 4.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.885 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.1 ptm -148.04 162.89 38.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.6 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 2.2 m-20 -67.26 171.02 6.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.0 mt -95.68 119.79 34.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.941 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.6 ' CE1' ' O ' ' A' ' 37' ' ' ASP . 0.5 OUTLIER -121.92 166.22 14.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.936 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 26.2 t -81.21 108.43 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.123 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.607 HD23 ' HB3' ' A' ' 29' ' ' ARG . 0.7 OUTLIER -57.74 -58.04 10.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.477 ' HG2' ' N ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -159.44 149.98 19.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.625 HD11 ' HA ' ' A' ' 56' ' ' ARG . 11.7 mt -103.0 151.24 22.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.956 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -86.36 117.81 25.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.764 ' HA ' HD13 ' A' ' 50' ' ' ILE . 13.0 pt-20 -59.56 -19.58 49.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -121.58 26.65 8.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -107.11 166.19 13.36 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.457 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -24.08 29.97 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.681 2.254 . . . . 0.0 112.359 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.59 -60.36 2.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.124 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.764 HD13 ' HA ' ' A' ' 45' ' ' GLU . 4.1 tt -52.1 -18.65 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 63.2 mtp85 -87.31 -25.58 23.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -64.57 -59.58 4.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.498 ' O ' ' CD ' ' A' ' 56' ' ' ARG . . . 102.69 -54.81 0.71 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.51 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.433 ' O ' ' CE2' ' A' ' 13' ' ' PHE . 54.1 mtt-85 -37.86 -34.56 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.821 0.343 . . . . 0.0 110.877 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 3.6 ptm -121.91 137.97 54.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.625 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -132.2 176.4 8.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.843 -179.904 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.407 HG12 HD12 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -85.77 123.47 39.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.148 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 117.37 -0.99 18.75 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.859 ' HB2' HD21 ' A' ' 92' ' ' LEU . 1.2 m-20 -88.68 170.26 10.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.78 0.324 . . . . 0.0 110.903 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.495 ' NE2' ' O ' ' A' ' 61' ' ' ILE . 9.2 tm0? -112.25 120.9 43.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.604 HG12 HD13 ' A' ' 92' ' ' LEU . 19.5 mt -89.72 129.83 40.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.465 ' N ' HD13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -112.81 -14.51 10.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.144 179.855 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.469 ' HB3' ' CB ' ' A' ' 91' ' ' LEU . 29.8 tt0 -140.34 158.22 44.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.581 HG13 HG21 ' A' ' 69' ' ' THR . 85.7 mt -146.21 134.3 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.134 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.502 ' ND2' ' O ' ' A' ' 80' ' ' LEU . 31.2 m-20 44.59 27.0 0.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.97 31.4 35.36 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 64' ' ' ILE . 3.2 pt-20 -131.1 141.3 50.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.831 0.348 . . . . 0.0 110.934 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.4 m -71.18 102.23 2.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.834 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.581 HG21 HG13 ' A' ' 64' ' ' ILE . 24.2 p -66.19 73.54 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.13 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 52.8 ttt180 -111.56 131.39 55.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.426 ' C ' ' HG3' ' A' ' 32' ' ' ARG . 12.4 m-20 52.97 46.36 26.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.433 ' HE2' ' HB ' ' A' ' 69' ' ' THR . 5.6 mtm -115.46 143.8 44.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 75' ' ' ALA . 81.9 p -92.37 147.5 22.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.172 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 18.8 t-160 -38.66 -27.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.864 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 73' ' ' THR . . . -69.38 -52.57 25.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -47.24 -51.73 17.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.06 -45.76 75.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.557 ' HA ' HD12 ' A' ' 81' ' ' ILE . 3.1 mm -64.6 -12.92 13.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -91.92 -42.06 10.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.502 ' O ' ' ND2' ' A' ' 65' ' ' ASN . 75.7 mt -62.67 -40.77 98.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.942 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.557 HD12 ' HA ' ' A' ' 78' ' ' ILE . 23.8 mt -55.85 -34.37 37.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -97.62 -16.59 19.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.3 t -77.36 -32.13 54.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -68.76 -40.77 85.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.496 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 127.71 -142.97 13.98 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.474 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.495 ' O ' ' N ' ' A' ' 19' ' ' LYS . 47.4 mtt180 -79.02 -18.78 52.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.853 0.358 . . . . 0.0 110.862 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 -115.08 128.03 55.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.951 HG12 ' CE2' ' A' ' 24' ' ' PHE . 13.7 p -124.28 146.93 29.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.466 ' O ' ' N ' ' A' ' 65' ' ' ASN . 12.5 ttm180 -141.29 121.89 14.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.543 HD23 HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -134.1 148.34 50.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.52 ' C ' HD23 ' A' ' 91' ' ' LEU . 4.0 tt -84.97 107.03 16.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.859 HD21 ' HB2' ' A' ' 59' ' ' ASP . 8.0 tp -114.74 152.1 32.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.441 ' NZ ' ' CE1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -134.5 129.52 35.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 179.876 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 32.3 tpt180 -109.69 124.96 52.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -80.07 52.46 4.26 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.485 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.489 HG23 ' N ' ' A' ' 97' ' ' GLY . 9.4 t -83.1 -44.58 14.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.837 0.351 . . . . 0.0 111.117 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.489 ' N ' HG23 ' A' ' 96' ' ' THR . . . -110.33 -108.58 3.12 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.493 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.7 t 51.74 28.87 5.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.907 0.384 . . . . 0.0 110.868 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 112.85 157.0 12.72 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.506 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 0.09 6.13 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.642 2.228 . . . . 0.0 112.352 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.4 t -44.72 -49.35 10.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.2 t -48.35 119.0 2.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.503 -179.996 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 3' ' ' SER . 5.0 m -109.95 167.88 9.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.909 0.385 . . . . 0.0 110.86 -179.753 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 2' ' ' SER . 16.5 t -36.28 -42.91 0.34 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.839 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.51 76.21 1.11 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.493 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.5 t -50.2 -53.69 26.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.827 0.346 . . . . 0.0 110.847 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.2 m -70.54 123.73 22.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.23 -114.12 0.23 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.491 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -125.16 34.56 4.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.789 0.328 . . . . 0.0 110.886 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -110.16 106.95 16.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -54.47 -57.45 11.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.912 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -168.23 119.63 0.82 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -78.71 83.03 4.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.608 ' CD1' ' O ' ' A' ' 92' ' ' LEU . 19.7 p90 -107.74 159.58 16.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 41.3 p -99.37 158.74 15.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.12 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 97.8 t -118.7 142.26 34.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -135.52 119.4 17.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.83 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.2 mtm -153.54 170.54 20.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.824 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -115.18 173.96 6.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.513 ' N ' ' O ' ' A' ' 86' ' ' ARG . 6.9 ttpp -101.6 137.39 39.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.923 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.15 -119.21 3.31 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.511 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.6 -57.03 2.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.846 0.355 . . . . 0.0 111.08 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.0 mtmm -94.99 30.36 2.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.482 ' HA2' ' CG ' ' A' ' 19' ' ' LYS . . . 106.39 -158.65 15.33 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.514 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.864 ' CE2' HG12 ' A' ' 88' ' ' VAL . 57.4 m-85 -81.92 26.08 0.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.9 0.381 . . . . 0.0 110.891 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 41.06 42.31 2.98 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.505 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.662 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -153.29 132.34 12.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.352 . . . . 0.0 110.878 -179.841 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.9 t -110.28 165.86 11.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -128.66 170.1 18.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.513 ' HB3' HD23 ' A' ' 41' ' ' LEU . 7.5 ptp85 -147.69 167.95 23.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.81 -169.09 54.94 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.476 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 131.35 164.57 11.21 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.468 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.0 mmm180 -48.2 -24.39 1.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.803 0.335 . . . . 0.0 110.855 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -65.98 -37.48 86.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -107.23 13.97 26.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm 53.9 50.43 16.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.913 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.4 ptm -154.94 162.84 40.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.81 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.59 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 0.2 OUTLIER -70.88 169.44 14.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 179.931 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.6 mt -93.19 120.7 33.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.59 ' CE1' ' O ' ' A' ' 37' ' ' ASP . 1.2 m-85 -124.34 166.97 15.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 48.2 t -79.83 113.66 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.108 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.538 HD13 ' C ' ' A' ' 41' ' ' LEU . 1.7 tm? -67.01 -55.81 12.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.464 ' HG2' ' N ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -158.37 150.35 21.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.614 HD11 ' HA ' ' A' ' 56' ' ' ARG . 11.5 mt -104.07 150.99 23.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -88.72 115.55 26.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.824 ' HA ' HD13 ' A' ' 50' ' ' ILE . 5.1 pt-20 -59.32 -24.35 63.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -119.17 32.86 5.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -117.21 169.77 13.24 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -22.26 32.56 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.661 2.241 . . . . 0.0 112.328 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.657 ' HB2' ' O ' ' A' ' 24' ' ' PHE . . . -68.99 -66.11 0.62 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.058 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.824 HD13 ' HA ' ' A' ' 45' ' ' GLU . 6.4 tt -48.83 -23.93 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.119 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 47.6 mtp180 -81.9 -29.62 32.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.402 ' ND2' ' H ' ' A' ' 55' ' ' MET . 0.4 OUTLIER -59.99 -55.2 36.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 55' ' ' MET . . . 93.2 -52.6 2.48 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.503 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.454 ' O ' ' CE2' ' A' ' 13' ' ' PHE . 21.2 mmt180 -38.93 -28.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.805 0.336 . . . . 0.0 110.836 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.532 ' HB2' HD22 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -127.81 142.09 51.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.614 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -140.13 -175.73 4.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.9 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 57.9 t -83.64 140.35 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.061 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 97.36 14.53 41.21 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.44 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.72 ' HB2' HD21 ' A' ' 92' ' ' LEU . 14.8 m-20 -103.62 173.29 6.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.757 0.313 . . . . 0.0 110.871 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.501 ' NE2' ' O ' ' A' ' 61' ' ' ILE . 7.3 tm0? -122.86 119.88 31.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.948 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.54 HG12 HD13 ' A' ' 92' ' ' LEU . 8.7 mt -87.16 125.28 40.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.674 ' N ' HD13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -102.02 -38.37 5.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.177 179.848 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.649 ' HA ' HG23 ' A' ' 69' ' ' THR . 24.8 tt0 -124.65 157.21 36.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.786 HG13 HG21 ' A' ' 69' ' ' THR . 93.7 mt -137.07 134.92 47.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.133 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 80' ' ' LEU . 29.0 m-20 41.07 25.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 64' ' ' ILE . . . 83.63 35.44 16.61 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.502 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.479 ' CD ' ' CD1' ' A' ' 80' ' ' LEU . 3.3 pt-20 -141.69 127.0 18.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.86 0.362 . . . . 0.0 110.879 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.4 m -47.36 142.65 3.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.786 HG21 HG13 ' A' ' 64' ' ' ILE . 7.5 p -120.83 52.23 1.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.153 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? -88.73 -65.42 1.02 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -96.5 63.48 2.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.46 ' HE2' ' HB ' ' A' ' 69' ' ' THR . 3.9 mtm -131.72 155.09 48.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 75' ' ' ALA . 45.1 p -108.57 147.87 31.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.147 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.443 ' CE1' ' HA ' ' A' ' 29' ' ' ARG . 13.7 t-160 -36.17 -31.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 73' ' ' THR . . . -67.18 -49.26 65.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 73' ' ' THR . 5.8 tpt180 -51.16 -52.15 46.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.921 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.14 -50.11 67.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.417 ' HA ' HD12 ' A' ' 81' ' ' ILE . 3.0 mm -59.41 -15.9 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.15 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 83' ' ' SER . 0.6 OUTLIER -90.77 -42.63 10.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.479 ' CD1' ' CD ' ' A' ' 67' ' ' GLU . 78.2 mt -60.62 -38.44 84.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.417 HD12 ' HA ' ' A' ' 78' ' ' ILE . 25.1 mt -61.16 -33.38 55.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.161 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -97.83 -18.69 18.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 79' ' ' GLU . 33.9 t -74.74 -34.13 62.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -69.72 -41.39 74.5 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.484 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 127.73 -138.88 10.73 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.542 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.513 ' O ' ' N ' ' A' ' 19' ' ' LYS . 28.0 mtt180 -82.86 -23.42 33.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.852 0.358 . . . . 0.0 110.914 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 46.7 mtp180 -109.74 123.09 48.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.864 HG12 ' CE2' ' A' ' 24' ' ' PHE . 12.9 p -123.6 148.73 27.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.426 ' O ' ' N ' ' A' ' 65' ' ' ASN . 14.1 ttm180 -140.91 113.74 8.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.849 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.612 HD23 HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -127.77 148.16 50.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.912 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.476 HD22 ' CG1' ' A' ' 62' ' ' ILE . 2.7 tt -85.41 112.01 20.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.72 HD21 ' HB2' ' A' ' 59' ' ' ASP . 8.9 tp -121.19 157.32 30.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.402 ' HG3' HD11 ' A' ' 62' ' ' ILE . 5.7 mtpt -118.25 129.06 55.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -108.74 141.62 40.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -82.53 31.31 2.99 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.515 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.2 t -69.49 -40.14 77.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.872 0.368 . . . . 0.0 111.111 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -50.06 -74.13 0.3 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.475 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.404 ' O ' ' HD3' ' A' ' 100' ' ' PRO . 71.5 m -94.01 96.0 9.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.97 0.414 . . . . 0.0 110.866 -179.758 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -100.38 99.99 2.1 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.453 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.404 ' HD3' ' O ' ' A' ' 98' ' ' SER . 53.8 Cg_endo -69.76 179.77 3.47 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.7 2.267 . . . . 0.0 112.317 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 32.7 m 63.77 41.01 7.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 73.4 m -135.87 136.77 40.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.841 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.522 -179.983 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.1 p -118.7 42.16 2.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.857 0.36 . . . . 0.0 110.852 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.6 t -123.58 86.97 2.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.47 104.75 3.19 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.482 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -37.71 111.79 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.876 0.369 . . . . 0.0 110.869 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.8 p -110.46 43.23 1.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.06 121.34 0.73 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.506 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -98.44 118.06 34.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.762 0.315 . . . . 0.0 110.939 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -159.22 135.56 9.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.471 ' CE2' ' NZ ' ' A' ' 93' ' ' LYS . 6.9 m-85 -75.97 -53.1 8.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -164.09 106.22 0.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -72.86 79.43 1.15 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.608 ' CD2' ' O ' ' A' ' 92' ' ' LEU . 26.6 p90 -108.01 152.16 24.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 76.5 p -97.0 164.29 12.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.125 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.404 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 35.3 t -123.85 146.13 29.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -135.75 117.44 14.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.7 mtm -149.42 176.98 10.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.501 ' C ' ' CD2' ' A' ' 24' ' ' PHE . 3.7 mt-10 -121.43 169.56 10.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.529 ' HE2' ' CE1' ' A' ' 24' ' ' PHE . 7.3 ttmm -74.99 155.7 37.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.942 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -130.82 -122.77 2.43 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.492 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.85 -51.68 4.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.87 0.366 . . . . 0.0 111.148 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -105.85 29.22 6.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.492 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . 85.43 101.41 0.69 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.537 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.776 ' CE2' HG12 ' A' ' 88' ' ' VAL . 77.8 m-85 38.92 25.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.874 0.368 . . . . 0.0 110.857 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 23' ' ' GLY . . . 35.37 46.15 0.73 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.506 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.656 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -153.28 143.63 22.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.825 0.345 . . . . 0.0 110.91 -179.889 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.7 t -122.18 162.44 21.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -122.8 169.72 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.154 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.487 ' HA ' ' CE1' ' A' ' 74' ' ' HIS . 3.6 ptp180 -147.6 160.16 42.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 82.97 -161.88 40.25 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.424 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 124.7 179.17 15.62 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.514 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -58.74 -20.92 53.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.797 0.332 . . . . 0.0 110.862 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -67.84 -34.85 77.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -111.71 11.25 21.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 56.42 49.12 15.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.91 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.6 ptm -153.46 159.99 42.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.457 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 62.9 m-20 -65.38 169.7 5.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.641 HD12 ' HB ' ' A' ' 69' ' ' THR . 9.2 mt -94.35 116.67 29.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.457 ' CE1' ' O ' ' A' ' 37' ' ' ASP . 2.9 m-85 -113.62 165.18 12.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.8 t -81.19 95.94 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.622 HD13 ' C ' ' A' ' 41' ' ' LEU . 2.0 tm? -45.49 -62.62 1.2 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.955 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.484 ' HD2' ' N ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -153.83 175.68 13.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 179.892 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.484 ' N ' ' HD2' ' A' ' 42' ' ' ARG . 12.8 mt -127.34 150.51 49.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.01 120.6 28.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.049 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.759 ' HA ' HD13 ' A' ' 50' ' ' ILE . 14.6 pt-20 -59.64 -26.54 65.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -116.39 31.33 6.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.843 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -112.66 169.06 12.83 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.478 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -25.9 28.15 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.695 2.263 . . . . 0.0 112.375 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.512 ' HB2' ' O ' ' A' ' 24' ' ' PHE . . . -65.93 -67.05 0.47 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.759 HD13 ' HA ' ' A' ' 45' ' ' GLU . 6.6 tt -46.13 -23.08 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.162 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -85.83 -31.29 22.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 49' ' ' ALA . 0.3 OUTLIER -58.98 -60.49 3.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.502 ' O ' ' N ' ' A' ' 55' ' ' MET . . . 100.61 -54.03 0.88 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.433 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.467 ' C ' ' O ' ' A' ' 53' ' ' GLY . 10.2 mmp_? -32.17 -36.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.784 0.326 . . . . 0.0 110.809 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.502 ' N ' ' O ' ' A' ' 53' ' ' GLY . 6.1 ptm -123.35 144.41 49.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.408 ' CD ' ' O ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -138.13 -178.98 5.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 -179.891 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 92.9 t -79.91 130.99 35.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.135 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 100.45 30.66 6.13 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.454 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.854 ' CB ' HD21 ' A' ' 92' ' ' LEU . 4.5 m-20 -115.62 173.62 6.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.729 0.3 . . . . 0.0 110.851 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -121.56 117.29 26.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.55 HG12 HD13 ' A' ' 92' ' ' LEU . 13.8 mt -86.97 120.51 36.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.604 ' N ' HD13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -98.32 -30.49 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.1 179.88 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -129.74 148.42 51.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.797 HG13 HG21 ' A' ' 69' ' ' THR . 57.8 mt -139.84 109.16 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.155 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 80' ' ' LEU . 30.0 m-20 55.8 43.7 27.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 63.76 40.51 98.56 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.512 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -137.9 128.25 26.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.805 0.336 . . . . 0.0 110.939 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.3 m -56.69 126.06 25.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.797 HG21 HG13 ' A' ' 64' ' ' ILE . 16.0 p -106.14 47.17 0.89 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.116 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -104.68 -38.11 6.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -121.33 46.1 2.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 9.5 mtm -122.23 152.75 39.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.456 ' O ' ' C ' ' A' ' 74' ' ' HIS . 25.3 p -98.95 143.73 28.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.487 ' CE1' ' HA ' ' A' ' 29' ' ' ARG . 11.3 t-160 -33.89 -36.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 73' ' ' THR . . . -63.99 -52.56 59.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.083 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 73' ' ' THR . 10.5 tpt180 -48.44 -48.51 37.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.88 -48.84 77.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.458 ' HA ' HD12 ' A' ' 81' ' ' ILE . 3.4 mm -61.56 -13.05 7.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.155 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -92.02 -41.07 10.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.497 ' O ' ' ND2' ' A' ' 65' ' ' ASN . 82.5 mt -63.83 -40.69 97.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.458 HD12 ' HA ' ' A' ' 78' ' ' ILE . 39.9 mt -54.71 -35.42 32.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.104 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -97.99 -14.73 20.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.0 t -73.92 -33.62 64.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.812 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -69.59 -36.63 76.67 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.514 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 129.7 -131.66 6.75 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.504 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 19' ' ' LYS . 24.8 mtt180 -91.16 -17.49 26.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.806 0.336 . . . . 0.0 110.877 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 34.2 mtm180 -116.89 124.94 50.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.776 HG12 ' CE2' ' A' ' 24' ' ' PHE . 12.1 p -119.92 144.58 28.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.404 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 30.8 ttt180 -135.06 111.75 10.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.618 HD23 HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -123.99 148.51 46.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.464 HD23 ' N ' ' A' ' 92' ' ' LEU . 3.4 tt -86.8 116.97 25.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.854 HD21 ' CB ' ' A' ' 59' ' ' ASP . 7.0 tp -126.23 152.03 46.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.471 ' NZ ' ' CE2' ' A' ' 10' ' ' PHE . 11.8 pttp -132.91 129.31 38.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 10.4 tpp180 -107.83 149.04 28.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.837 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.497 ' O ' ' N ' ' A' ' 97' ' ' GLY . . . -75.63 -45.4 17.84 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.534 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.409 HG22 ' O ' ' A' ' 95' ' ' GLY . 10.5 t 39.42 24.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.815 0.34 . . . . 0.0 111.152 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 95' ' ' GLY . . . -59.15 92.92 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.461 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.5 t -38.25 153.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.972 0.415 . . . . 0.0 110.825 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -163.81 147.5 13.07 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.493 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 4.75 2.02 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.703 2.268 . . . . 0.0 112.331 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 94.7 p -84.87 33.52 0.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 39.1 t -50.64 -48.04 58.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.857 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.46 -179.949 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.9 m -121.79 109.86 15.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.857 0.36 . . . . 0.0 110.878 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.1 p -116.39 42.88 2.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.56 168.59 7.65 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 6' ' ' SER . 6.3 m -38.55 127.87 1.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.9 0.381 . . . . 0.0 110.875 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 5' ' ' SER . 40.3 t -37.89 142.66 0.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.854 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.27 136.62 12.82 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.481 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -73.26 96.72 2.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.807 0.337 . . . . 0.0 110.874 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -149.69 134.03 17.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.585 ' CD1' ' N ' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -97.18 179.85 4.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.871 -179.903 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -43.44 108.32 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.831 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -75.4 82.16 2.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.577 ' CE1' ' O ' ' A' ' 54' ' ' ARG . 11.8 p90 -107.39 150.1 27.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.858 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -91.18 165.58 13.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.158 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.469 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 37.6 t -136.07 138.1 47.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.143 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -136.25 121.18 18.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.41 ' SD ' ' HA ' ' A' ' 49' ' ' ALA . 3.7 mtm -148.3 167.58 24.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.517 ' O ' ' CD2' ' A' ' 24' ' ' PHE . 4.2 mt-10 -106.93 173.31 6.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.822 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.0 ttmt -84.63 163.59 19.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -121.14 -124.33 3.08 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.12 -56.73 3.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.897 0.38 . . . . 0.0 111.128 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.5 tppt? -115.94 24.98 11.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 135.22 -165.32 24.71 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.5 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.965 ' CE2' HG12 ' A' ' 88' ' ' VAL . 57.7 m-85 -84.96 34.29 0.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.883 0.373 . . . . 0.0 110.854 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 40.19 39.08 1.46 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.474 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.65 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -153.02 143.44 22.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.871 0.367 . . . . 0.0 110.903 -179.883 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.458 ' HB3' ' CD ' ' A' ' 42' ' ' ARG . 38.0 t -118.99 172.03 7.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -179.784 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.502 HG22 HD12 ' A' ' 61' ' ' ILE . 0.5 OUTLIER -133.5 169.22 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.139 179.904 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.62 ' HB3' HD23 ' A' ' 41' ' ' LEU . 4.8 ptp180 -151.36 169.54 21.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.14 -176.71 46.62 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.496 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 134.97 175.88 14.08 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.533 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 -54.3 -24.57 19.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.786 0.327 . . . . 0.0 110.91 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -66.0 -36.59 83.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -109.44 14.15 23.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.957 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 51.94 48.88 21.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.906 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.8 ptm -151.95 166.19 32.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.551 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 0.8 OUTLIER -70.62 171.43 10.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.4 mt -95.79 128.68 42.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.603 ' CE2' ' HG3' ' A' ' 60' ' ' GLN . 1.6 m-85 -129.38 167.91 17.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.471 ' O ' HG13 ' A' ' 57' ' ' VAL . 90.4 t -85.32 98.85 6.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.171 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.62 HD23 ' HB3' ' A' ' 29' ' ' ARG . 0.4 OUTLIER -43.41 -64.57 0.62 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.458 ' CD ' ' HB3' ' A' ' 27' ' ' SER . 0.0 OUTLIER -155.23 165.9 35.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.645 HD21 ' SD ' ' A' ' 55' ' ' MET . 12.2 mt -115.0 150.86 35.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.31 118.45 28.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.831 ' HA ' HD13 ' A' ' 50' ' ' ILE . 14.1 pt-20 -57.76 -29.47 64.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.904 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -113.56 30.09 7.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -113.38 166.58 12.16 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.456 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -24.92 28.88 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.679 2.253 . . . . 0.0 112.316 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.703 ' HB2' ' O ' ' A' ' 24' ' ' PHE . . . -66.9 -58.4 5.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.831 HD13 ' HA ' ' A' ' 45' ' ' GLU . 8.2 tt -56.12 -14.34 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 40.5 mtp180 -93.61 -19.67 20.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.512 ' ND2' ' H ' ' A' ' 55' ' ' MET . 0.7 OUTLIER -67.39 -54.5 19.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.443 ' O ' ' CD ' ' A' ' 56' ' ' ARG . . . 94.95 -52.63 1.92 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.484 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.577 ' O ' ' CE1' ' A' ' 13' ' ' PHE . 17.9 mmt180 -45.34 -27.76 0.73 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.861 0.363 . . . . 0.0 110.909 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.645 ' SD ' HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -120.87 139.68 52.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 179.93 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.575 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -137.43 -175.23 3.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.859 -179.917 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.471 HG13 ' O ' ' A' ' 40' ' ' VAL . 61.5 t -93.52 111.32 24.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 135.23 -19.76 3.83 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.498 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.604 ' HB2' HD21 ' A' ' 92' ' ' LEU . 1.5 m-20 -74.05 176.68 6.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.792 0.329 . . . . 0.0 110.828 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.603 ' HG3' ' CE2' ' A' ' 39' ' ' TYR . 2.0 tt0 -121.17 120.73 36.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.899 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.502 HD12 HG22 ' A' ' 28' ' ' ILE . 17.1 mt -82.75 117.08 28.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.139 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.529 HD11 ' HD2' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -103.14 -20.61 5.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 179.861 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.57 ' HA ' HG23 ' A' ' 69' ' ' THR . 5.9 tt0 -132.31 150.07 52.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.548 HG13 HG21 ' A' ' 69' ' ' THR . 97.1 mt -141.75 127.27 18.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.124 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.554 ' ND2' HG23 ' A' ' 88' ' ' VAL . 22.6 m-20 33.64 48.55 0.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 57.73 43.06 94.66 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.485 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 64' ' ' ILE . 17.8 mt-10 -136.25 110.3 8.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.885 0.374 . . . . 0.0 110.87 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 89.3 p -42.62 109.0 0.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.57 HG23 ' HA ' ' A' ' 63' ' ' GLU . 10.4 p -80.31 57.92 2.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.128 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 30.6 ptt180 -111.1 138.8 47.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.409 ' OD1' ' N ' ' A' ' 71' ' ' ASP . 1.0 OUTLIER 52.9 36.28 21.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.825 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 6.3 mtm -108.13 156.1 19.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 76' ' ' ARG . 79.6 p -106.49 145.38 31.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.167 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.439 ' C ' ' O ' ' A' ' 73' ' ' THR . 20.9 t-160 -35.37 -35.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 73' ' ' THR . . . -59.67 -47.89 83.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.111 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.517 ' NE ' HD21 ' A' ' 80' ' ' LEU . 9.2 tpt180 -55.5 -62.33 1.75 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -46.95 -28.62 1.68 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.074 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 5.9 mm -78.56 -30.99 15.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -85.6 -23.15 27.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.517 HD21 ' NE ' ' A' ' 76' ' ' ARG . 32.0 mt -70.42 -40.12 74.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.943 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 17.2 mt -62.0 -30.59 48.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.18 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.0 ptpt -97.06 -14.52 21.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 26.4 t -78.63 -31.58 47.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.832 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -69.39 -40.5 79.88 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.463 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 127.97 -132.77 7.53 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.505 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 30.7 mtt85 -87.91 -16.84 32.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.855 0.36 . . . . 0.0 110.927 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 25.6 mtm-85 -115.59 127.14 55.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.965 HG12 ' CE2' ' A' ' 24' ' ' PHE . 12.4 p -125.08 144.2 35.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.124 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.545 ' O ' ' N ' ' A' ' 65' ' ' ASN . 62.1 mtt85 -137.69 123.82 20.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.582 HD23 HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -138.56 148.62 44.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.576 ' C ' HD23 ' A' ' 91' ' ' LEU . 1.8 tt -88.83 109.98 20.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.604 HD21 ' HB2' ' A' ' 59' ' ' ASP . 9.2 tp -121.36 142.86 49.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.936 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.529 ' HD2' HD11 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -125.84 135.58 52.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.852 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 29.1 tpt180 -111.6 142.98 43.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -83.63 48.63 4.08 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.495 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.9 t -92.12 -11.43 35.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.865 0.364 . . . . 0.0 111.139 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -63.57 -61.62 6.08 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.507 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.4 m -172.78 158.04 3.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.894 0.378 . . . . 0.0 110.856 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -144.85 124.37 2.14 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 110.35 2.53 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.7 2.267 . . . . 0.0 112.309 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 71.1 m 51.3 43.88 29.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 28.6 t -78.55 150.38 32.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.496 179.996 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.6 p -118.12 121.9 41.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.859 0.361 . . . . 0.0 110.884 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.8 m -50.26 112.84 0.74 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.67 140.11 9.66 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.509 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.3 m -112.63 95.05 5.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.869 0.366 . . . . 0.0 110.889 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.3 t -106.92 113.62 27.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.845 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -50.38 165.02 0.64 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.485 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -125.79 92.33 3.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.767 0.318 . . . . 0.0 110.911 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.487 ' HB2' ' CZ ' ' A' ' 12' ' ' TYR . 5.3 m-20 -47.68 172.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.424 ' O ' ' CG ' ' A' ' 11' ' ' ASP . 9.4 m-85 -42.82 -51.06 5.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.424 ' CG ' ' O ' ' A' ' 10' ' ' PHE . 4.7 m-20 -175.11 105.92 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.487 ' CZ ' ' HB2' ' A' ' 9' ' ' ASP . 12.3 m-85 -80.57 86.07 5.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.928 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.596 ' CE1' ' O ' ' A' ' 54' ' ' ARG . 9.1 p90 -108.1 147.28 31.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 69.8 p -91.86 163.4 14.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.143 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 62.8 t -122.1 141.91 40.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.144 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -135.57 112.68 10.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.6 mtm -146.39 -179.99 7.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.448 ' O ' ' CD2' ' A' ' 24' ' ' PHE . 3.2 mt-10 -125.06 175.33 7.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.891 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.579 ' HD3' ' CE1' ' A' ' 24' ' ' PHE . 0.6 OUTLIER -70.82 162.29 29.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.925 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -141.0 -113.21 1.01 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.534 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.03 -57.41 2.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.843 0.354 . . . . 0.0 111.088 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.0 mmtm -109.3 31.11 6.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.47 93.65 1.05 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.506 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.896 ' CE2' HG12 ' A' ' 88' ' ' VAL . 55.3 m-85 52.3 29.41 6.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.856 0.36 . . . . 0.0 110.896 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.511 ' C ' ' O ' ' A' ' 24' ' ' PHE . . . 28.04 49.3 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.511 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.666 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -153.61 137.28 16.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.834 0.35 . . . . 0.0 110.844 -179.855 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.4 t -117.5 161.53 19.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -122.15 170.43 12.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.162 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -146.49 161.29 40.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.92 -164.85 50.52 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.449 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 131.1 179.43 16.11 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.5 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.444 ' HG3' ' C ' ' A' ' 71' ' ' ASP . 14.6 mmm180 -61.48 -21.47 64.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.78 0.324 . . . . 0.0 110.9 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -67.78 -33.24 74.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -110.62 7.37 22.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.896 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 60.34 49.14 7.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.2 ptm -153.8 160.72 42.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.533 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 0.7 OUTLIER -67.13 171.51 5.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.408 ' HA ' ' O ' ' A' ' 29' ' ' ARG . 9.1 mt -94.95 120.52 35.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.533 ' CE1' ' O ' ' A' ' 37' ' ' ASP . 1.8 m-85 -121.34 158.99 27.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.945 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.4 t -71.96 108.98 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.138 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.574 HD13 ' C ' ' A' ' 41' ' ' LEU . 2.0 tm? -63.06 -57.86 9.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.499 ' HG2' ' N ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -156.17 154.67 31.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.499 ' N ' ' HG2' ' A' ' 42' ' ' ARG . 9.7 mt -113.32 139.47 48.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.75 113.99 19.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.076 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.844 ' HA ' HD13 ' A' ' 50' ' ' ILE . 11.5 pt-20 -59.91 -18.85 47.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -115.57 21.02 14.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.83 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -106.92 168.53 14.41 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.493 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -17.58 37.38 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.714 2.276 . . . . 0.0 112.319 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.449 ' HB2' ' O ' ' A' ' 24' ' ' PHE . . . -71.25 -69.46 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.105 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.844 HD13 ' HA ' ' A' ' 45' ' ' GLU . 4.9 tt -43.58 -25.67 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 53.2 mtp180 -78.65 -36.71 43.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 49' ' ' ALA . 0.2 OUTLIER -57.77 -60.5 3.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.502 ' O ' ' N ' ' A' ' 55' ' ' MET . . . 100.83 -52.46 0.92 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.457 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.596 ' O ' ' CE1' ' A' ' 13' ' ' PHE . 37.3 mmt-85 -34.3 -32.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.803 0.335 . . . . 0.0 110.86 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.502 ' N ' ' O ' ' A' ' 53' ' ' GLY . 13.7 ptm -122.67 146.51 47.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.69 -175.45 3.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.454 ' CG2' ' HB2' ' A' ' 43' ' ' LEU . 82.1 t -86.65 146.12 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.107 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 77.62 28.95 56.37 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.477 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.69 ' CB ' HD21 ' A' ' 92' ' ' LEU . 2.2 t0 -105.53 166.04 10.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.768 0.318 . . . . 0.0 110.863 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.492 ' NE2' ' O ' ' A' ' 61' ' ' ILE . 1.5 tm0? -109.58 113.21 25.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.564 HG12 HD13 ' A' ' 92' ' ' LEU . 43.7 mt -85.45 126.97 40.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.656 ' N ' HD13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -104.58 -24.93 3.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 179.9 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.501 ' HB3' ' CB ' ' A' ' 91' ' ' LEU . 28.3 tt0 -132.29 150.88 52.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.464 HG13 ' CG2' ' A' ' 69' ' ' THR . 96.6 mt -146.18 105.16 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 80' ' ' LEU . 26.6 m-20 63.75 31.96 13.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.59 -17.16 59.83 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.497 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -76.23 145.62 39.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.807 0.337 . . . . 0.0 110.907 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.454 ' O ' ' C ' ' A' ' 69' ' ' THR . 3.7 m -83.83 22.38 1.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.782 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.464 ' CG2' HG13 ' A' ' 64' ' ' ILE . 37.7 p 33.36 43.32 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.118 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.421 ' C ' ' HD3' ' A' ' 70' ' ' ARG . 0.6 OUTLIER -99.0 123.24 43.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.444 ' C ' ' HG3' ' A' ' 32' ' ' ARG . 19.0 m-20 59.19 43.55 16.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.4 mtm -114.44 142.41 46.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 41.4 p -95.45 151.22 19.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.15 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 14.4 t-160 -39.11 -39.26 0.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.24 -53.86 52.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.083 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -47.97 -54.32 13.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.76 -44.78 66.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.122 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.405 HG22 ' O ' ' A' ' 78' ' ' ILE . 2.9 mm -67.38 -14.57 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -94.85 -32.95 13.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.496 ' O ' ' ND2' ' A' ' 65' ' ' ASN . 26.7 mt -68.62 -41.47 79.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.966 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 28.5 mt -56.77 -35.0 44.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.109 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.422 ' HA ' ' NZ ' ' A' ' 19' ' ' LYS . 2.3 ptpt -97.17 -13.58 22.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.9 t -73.18 -36.28 66.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.822 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -70.85 -36.29 65.79 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.526 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.417 ' O ' ' NZ ' ' A' ' 19' ' ' LYS . . . 132.02 -129.51 5.62 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.485 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 12.3 mtm180 -94.83 -19.27 20.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.864 0.364 . . . . 0.0 110.909 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 39.5 mtp180 -109.56 123.41 49.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.896 HG12 ' CE2' ' A' ' 24' ' ' PHE . 13.0 p -122.78 148.85 26.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.137 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.407 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 12.7 ttt180 -141.02 115.17 9.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.846 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.614 HD23 HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -128.83 147.15 50.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.504 HD23 ' N ' ' A' ' 92' ' ' LEU . 3.8 tt -86.25 115.35 23.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.69 HD21 ' CB ' ' A' ' 59' ' ' ASP . 8.4 tp -124.27 153.58 41.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.422 ' O ' ' OD1' ' A' ' 59' ' ' ASP . 14.9 pttp -132.47 128.14 36.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.22 132.23 35.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.496 ' O ' ' N ' ' A' ' 97' ' ' GLY . . . -44.61 -59.57 4.18 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.518 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.409 HG22 ' O ' ' A' ' 95' ' ' GLY . 9.8 t 39.41 24.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.852 0.358 . . . . 0.0 111.164 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 95' ' ' GLY . . . -82.86 125.35 6.93 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.487 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 27.8 m 57.3 40.24 27.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.936 0.398 . . . . 0.0 110.872 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 45.0 81.35 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.479 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 1.72 4.19 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.725 2.283 . . . . 0.0 112.333 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 80.4 p -83.42 53.35 2.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.824 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 39.3 t -116.53 99.09 6.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.846 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.464 -179.97 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.4 m -73.97 118.46 16.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.831 0.348 . . . . 0.0 110.853 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -169.43 112.83 0.51 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.27 101.27 0.29 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.468 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.0 p -101.53 177.89 4.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 110.854 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.2 m -167.04 135.98 2.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.25 -148.67 4.8 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.459 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -71.47 -43.99 65.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.786 0.327 . . . . 0.0 110.934 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -92.87 144.97 24.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.812 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.446 ' CE1' ' HB2' ' A' ' 93' ' ' LYS . 0.7 OUTLIER -112.82 -32.03 6.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.9 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -159.2 110.62 2.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -95.6 90.96 5.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.954 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.598 ' CD2' ' O ' ' A' ' 92' ' ' LEU . 17.7 p90 -114.57 155.0 27.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.407 HG21 HH21 ' A' ' 89' ' ' ARG . 46.2 p -98.9 155.29 17.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.109 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 72.6 t -113.59 143.79 22.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -136.12 113.81 11.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.829 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.3 mtm -148.9 175.57 11.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.407 ' O ' ' CD2' ' A' ' 24' ' ' PHE . 2.7 mt-10 -120.63 174.91 6.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.502 ' N ' ' O ' ' A' ' 86' ' ' ARG . 21.1 ttmt -86.75 151.74 23.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -107.33 -118.69 4.35 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.487 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.66 -57.08 2.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.89 0.376 . . . . 0.0 111.083 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -114.89 28.79 8.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 131.81 -169.45 22.0 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.507 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.905 ' CE2' HG12 ' A' ' 88' ' ' VAL . 40.7 m-85 -81.92 39.62 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.905 0.383 . . . . 0.0 110.87 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 24' ' ' PHE . . . 33.48 40.2 0.12 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.482 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.647 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -153.05 140.18 19.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.829 0.347 . . . . 0.0 110.867 -179.831 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.418 ' HB3' ' HB3' ' A' ' 41' ' ' LEU . 1.2 t -116.72 166.68 11.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -128.7 170.35 18.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.086 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.542 ' HA ' ' CE1' ' A' ' 74' ' ' HIS . 10.4 ptt180 -150.84 169.29 22.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.825 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.96 -163.15 54.94 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.441 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 126.08 165.21 11.97 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.466 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -43.26 -34.6 1.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.761 0.315 . . . . 0.0 110.882 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -54.36 -41.01 68.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.927 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -106.1 19.75 20.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.922 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.9 mmtp 49.16 50.29 18.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 4.0 ptm -154.81 159.77 40.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.476 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 2.1 m-20 -66.69 171.31 5.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.706 HD12 ' HB ' ' A' ' 69' ' ' THR . 6.3 mt -95.93 117.94 31.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.476 ' CE1' ' O ' ' A' ' 37' ' ' ASP . 1.2 m-85 -118.37 165.96 13.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.909 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.512 HG12 HG23 ' A' ' 57' ' ' VAL . 99.0 t -81.23 111.48 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.123 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.486 HD13 ' C ' ' A' ' 41' ' ' LEU . 1.8 tm? -62.15 -55.83 24.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.509 ' HA ' HG21 ' A' ' 57' ' ' VAL . 0.1 OUTLIER -155.7 152.22 28.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.478 HD11 ' HA ' ' A' ' 56' ' ' ARG . 7.6 mt -110.25 140.56 44.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -78.09 119.31 21.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.051 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.841 ' HA ' HD13 ' A' ' 50' ' ' ILE . 6.2 pt-20 -63.55 -23.5 67.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -116.51 25.66 10.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -106.73 170.78 16.41 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.426 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -28.25 25.65 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.674 2.25 . . . . 0.0 112.361 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 52' ' ' ASN . . . -63.81 -68.61 0.33 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.089 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.841 HD13 ' HA ' ' A' ' 45' ' ' GLU . 6.0 tt -44.33 -25.05 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.149 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 66.0 mtp85 -81.92 -33.81 30.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 49' ' ' ALA . 0.3 OUTLIER -58.83 -56.07 26.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' A' ' 55' ' ' MET . . . 95.56 -54.15 1.73 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.512 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.555 ' O ' ' CE1' ' A' ' 13' ' ' PHE . 48.4 mmt-85 -35.75 -31.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.832 0.349 . . . . 0.0 110.863 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.499 ' N ' ' O ' ' A' ' 53' ' ' GLY . 2.4 ptm -128.23 140.11 52.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.478 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -130.71 171.2 13.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.929 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.512 HG23 HG12 ' A' ' 40' ' ' VAL . 6.6 p -83.13 138.91 18.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 103.52 -9.39 52.84 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.494 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.777 ' HB2' HD21 ' A' ' 92' ' ' LEU . 23.2 m-20 -77.77 -174.75 3.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.742 0.305 . . . . 0.0 110.904 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.499 ' NE2' ' O ' ' A' ' 61' ' ' ILE . 10.2 tm0? -123.28 115.12 21.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.584 HG12 HD13 ' A' ' 92' ' ' LEU . 21.8 mt -84.01 122.53 37.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.099 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.675 ' N ' HD13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -98.5 -31.82 3.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.846 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.488 ' HA ' HG23 ' A' ' 69' ' ' THR . 29.3 tt0 -131.74 150.45 52.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.927 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.742 HG13 HG21 ' A' ' 69' ' ' THR . 43.4 mt -139.19 114.91 8.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.13 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.486 ' ND2' ' O ' ' A' ' 80' ' ' LEU . 29.2 m-20 54.67 38.74 30.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 66.28 39.92 94.53 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.477 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -136.29 115.11 12.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.789 0.328 . . . . 0.0 110.92 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.8 t -48.57 113.02 0.68 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.742 HG21 HG13 ' A' ' 64' ' ' ILE . 22.3 p -85.65 47.07 1.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.143 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 -97.85 -37.73 9.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -121.61 45.54 2.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 6.5 mtm -122.79 150.59 42.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.433 ' O ' ' C ' ' A' ' 74' ' ' HIS . 33.7 p -105.76 147.55 28.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.2 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.542 ' CE1' ' HA ' ' A' ' 29' ' ' ARG . 12.7 t-160 -35.19 -41.85 0.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.815 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.66 -49.76 75.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 73' ' ' THR . 6.4 tpt180 -54.78 -63.18 1.23 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -43.97 -37.65 3.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.055 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 7.5 mm -66.16 -33.53 64.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.102 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 76' ' ' ARG . 2.1 pt-20 -81.96 -26.44 33.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.486 ' O ' ' ND2' ' A' ' 65' ' ' ASN . 92.5 mt -67.31 -42.41 83.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.94 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 20.0 mt -59.86 -30.1 44.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.145 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.6 ptpt -97.8 -17.97 19.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.1 t -73.19 -36.05 66.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -67.84 -41.92 87.41 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.497 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 131.44 -134.7 7.81 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.5 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.502 ' O ' ' N ' ' A' ' 19' ' ' LYS . 19.7 mtt-85 -88.18 -18.31 29.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.827 0.346 . . . . 0.0 110.881 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 81.5 mtt180 -113.68 123.09 49.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.905 HG12 ' CE2' ' A' ' 24' ' ' PHE . 12.5 p -119.55 149.27 22.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.407 HH21 HG21 ' A' ' 14' ' ' THR . 26.8 ttt85 -141.39 114.48 8.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.591 HD23 HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -129.34 148.91 51.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.453 HD22 ' CG1' ' A' ' 62' ' ' ILE . 3.1 tt -87.8 114.56 24.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.777 HD21 ' HB2' ' A' ' 59' ' ' ASP . 8.4 tp -123.39 157.01 34.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.446 ' HB2' ' CE1' ' A' ' 10' ' ' PHE . 4.1 ptmm? -129.62 128.99 43.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.83 140.62 36.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.896 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -88.1 68.46 2.98 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.469 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.3 t -114.63 -39.98 3.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.856 0.36 . . . . 0.0 111.165 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -61.56 -149.89 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.467 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 42.4 p -40.2 104.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.915 0.388 . . . . 0.0 110.87 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -146.35 70.27 0.36 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.523 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -5.77 16.99 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.679 2.252 . . . . 0.0 112.335 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.0 m -85.6 24.52 1.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.834 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.8 m -101.05 -35.8 9.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.506 -179.992 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.4 p -84.03 86.86 7.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.847 0.356 . . . . 0.0 110.824 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -75.62 -48.34 22.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.32 133.87 18.71 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.516 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.4 t -86.75 132.63 33.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.925 0.393 . . . . 0.0 110.824 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.7 p -156.48 159.91 39.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.841 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.03 177.0 32.52 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.458 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -77.02 100.34 5.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.794 0.331 . . . . 0.0 110.958 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -123.46 177.2 5.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.833 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.523 ' CG ' ' HB ' ' A' ' 96' ' ' THR . 1.5 m-85 -117.87 -48.25 2.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.417 ' O ' ' CB ' ' A' ' 93' ' ' LYS . 43.8 t0 -167.37 118.65 0.88 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -98.95 82.45 2.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.596 ' CD1' ' O ' ' A' ' 92' ' ' LEU . 22.4 p90 -113.63 148.93 35.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.853 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.824 HG21 HH21 ' A' ' 89' ' ' ARG . 64.5 p -91.87 160.35 15.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.148 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 57.8 t -118.48 148.49 21.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.185 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -136.21 118.5 15.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.528 ' HE1' ' CD2' ' A' ' 26' ' ' PHE . 3.8 mtm -152.22 169.06 23.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.489 ' O ' ' CD1' ' A' ' 24' ' ' PHE . 6.2 mt-10 -121.18 175.01 6.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.586 ' HE2' ' CE2' ' A' ' 24' ' ' PHE . 2.5 ttmm -84.59 152.53 23.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -123.86 -158.52 10.15 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.49 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.18 -51.56 67.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.865 0.364 . . . . 0.0 111.096 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.4 ttmt -109.94 28.57 8.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 109.25 -167.22 12.82 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.47 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 1.141 ' CE1' HG12 ' A' ' 88' ' ' VAL . 68.2 m-85 -63.26 -12.11 26.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.897 0.379 . . . . 0.0 110.909 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.28 39.15 44.54 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.464 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.646 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -153.2 143.85 22.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.837 0.351 . . . . 0.0 110.91 -179.868 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 14.0 t -122.36 159.41 27.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.458 HG22 ' CD1' ' A' ' 61' ' ' ILE . 0.7 OUTLIER -118.63 169.96 8.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.112 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -146.08 165.55 28.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.838 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.03 -168.62 54.81 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.507 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 131.21 171.87 12.98 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.494 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -51.86 -28.1 14.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.755 0.312 . . . . 0.0 110.877 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -62.12 -37.93 86.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.927 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -106.93 9.69 30.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.0 mmtm 55.98 48.77 17.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.3 ptm -151.25 162.72 40.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.545 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 6.0 m-20 -67.85 168.53 11.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.87 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.482 HD12 ' HB ' ' A' ' 69' ' ' THR . 9.4 mt -94.22 119.94 33.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.545 ' CE1' ' O ' ' A' ' 37' ' ' ASP . 2.0 m-85 -120.47 168.3 11.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 77.4 t -82.08 97.96 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.104 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.645 HD13 ' C ' ' A' ' 41' ' ' LEU . 1.5 tm? -48.03 -64.36 0.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.425 ' C ' ' HD2' ' A' ' 42' ' ' ARG . 0.3 OUTLIER -149.82 177.32 9.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.755 HD11 ' HA ' ' A' ' 56' ' ' ARG . 11.4 mt -130.46 151.1 51.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -91.17 114.26 26.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.119 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.731 ' HA ' HD13 ' A' ' 50' ' ' ILE . 1.0 OUTLIER -55.65 -26.01 42.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.916 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -111.96 22.03 15.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -103.47 162.88 15.67 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.504 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -23.84 30.42 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.709 2.273 . . . . 0.0 112.36 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.87 -61.5 1.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.09 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.731 HD13 ' HA ' ' A' ' 45' ' ' GLU . 9.8 tt -51.85 -17.91 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 -87.31 -29.16 21.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.924 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.578 ' ND2' ' H ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -61.73 -60.37 3.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.578 ' H ' ' ND2' ' A' ' 52' ' ' ASN . . . 108.94 -49.89 0.82 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.462 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.477 ' C ' ' O ' ' A' ' 53' ' ' GLY . 26.0 mmt85 -31.92 -69.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.851 0.358 . . . . 0.0 110.885 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.67 ' HB2' HD22 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -87.32 173.69 9.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.755 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.7 OUTLIER -175.58 -175.77 0.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 31.2 t -81.55 128.11 39.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 110.37 -9.55 30.84 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.486 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.929 ' CB ' HD21 ' A' ' 92' ' ' LEU . 56.2 m-20 -83.39 169.5 15.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.803 0.335 . . . . 0.0 110.852 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.499 ' NE2' ' O ' ' A' ' 61' ' ' ILE . 3.8 tm0? -123.34 114.25 19.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.569 HG12 HD13 ' A' ' 92' ' ' LEU . 5.8 mt -80.7 125.2 39.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.559 ' N ' HD13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -103.55 -29.64 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.138 179.838 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.639 ' HA ' HG23 ' A' ' 69' ' ' THR . 11.7 tt0 -135.89 150.73 49.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.478 ' N ' ' HG2' ' A' ' 63' ' ' GLU . 96.5 mt -137.2 124.12 29.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 50.2 46.85 24.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 60.04 32.26 75.15 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.482 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -132.6 108.63 9.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.922 0.391 . . . . 0.0 110.848 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 18.1 p -45.9 117.12 1.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.639 HG23 ' HA ' ' A' ' 63' ' ' GLU . 30.8 p -76.61 50.12 0.66 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.155 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -102.31 133.62 46.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.4 t70 61.07 25.83 15.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 5.1 mtm -103.32 147.65 26.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 76' ' ' ARG . 46.8 p -100.36 143.95 29.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.18 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.452 ' C ' ' O ' ' A' ' 73' ' ' THR . 17.3 t-160 -34.28 -38.57 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.834 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.78 -49.21 78.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.139 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 73' ' ' THR . 7.4 tpt180 -55.16 -62.45 1.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -45.79 -31.93 2.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.079 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 6.5 mm -72.77 -32.06 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -82.88 -23.98 33.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 45.3 mt -70.37 -40.85 73.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.42 HG23 HG21 ' A' ' 88' ' ' VAL . 18.8 mt -61.47 -30.21 47.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.9 ptpt -97.26 -16.61 20.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 29.7 t -75.82 -29.84 58.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -70.47 -44.96 56.76 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.437 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 133.61 -149.88 19.78 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.463 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 19' ' ' LYS . 8.6 mtm-85 -69.1 -28.29 66.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 0.0 110.908 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.415 ' HG2' ' CG ' ' A' ' 18' ' ' GLU . 76.2 mtt180 -109.74 126.17 53.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 1.141 HG12 ' CE1' ' A' ' 24' ' ' PHE . 7.6 p -120.07 136.53 56.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.159 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.824 HH21 HG21 ' A' ' 14' ' ' THR . 45.2 ttt180 -130.57 112.69 13.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.737 HD23 HG22 ' A' ' 88' ' ' VAL . 0.1 OUTLIER -123.38 148.94 45.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.467 ' CB ' ' HB3' ' A' ' 63' ' ' GLU . 1.3 tt -86.25 106.6 17.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.929 HD21 ' CB ' ' A' ' 59' ' ' ASP . 6.9 tp -115.19 151.48 34.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.527 ' NZ ' HG21 ' A' ' 96' ' ' THR . 3.9 ptmm? -118.47 129.06 55.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.491 ' CD ' ' OD1' ' A' ' 59' ' ' ASP . 11.7 mmm-85 -103.46 162.09 13.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.833 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 95.79 -30.37 8.53 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.462 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.527 HG21 ' NZ ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -78.87 -25.03 43.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.815 0.341 . . . . 0.0 111.142 -179.869 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -101.36 131.97 10.78 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.502 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 35.1 p -88.09 153.35 21.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.903 0.383 . . . . 0.0 110.85 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.402 ' HA2' ' HD2' ' A' ' 100' ' ' PRO . . . -166.71 96.69 0.13 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.468 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.402 ' HD2' ' HA2' ' A' ' 99' ' ' GLY . 54.1 Cg_endo -69.77 139.31 39.87 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.675 2.25 . . . . 0.0 112.342 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 93.4 p -153.07 161.45 42.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.858 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 38.6 t 61.94 50.72 4.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.808 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.471 179.965 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.555 ' CZ ' ' O ' ' A' ' 54' ' ' ARG . 6.7 p90 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.958 0.409 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 44.3 p -93.68 159.13 15.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 84.2 t -117.32 143.41 27.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -135.35 118.92 16.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.6 mtm -152.93 163.9 38.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -117.76 175.25 5.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 86' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.647 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -152.89 142.82 22.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.836 0.35 . . . . 0.0 110.902 -179.889 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.5 t -118.17 168.83 10.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.824 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -130.55 168.65 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.098 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.451 ' CD ' ' CE ' ' A' ' 36' ' ' MET . 0.0 OUTLIER -146.29 164.92 30.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.438 ' CA ' ' HG3' ' A' ' 36' ' ' MET . . . 76.8 -172.97 54.85 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.483 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 132.3 165.2 11.22 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.481 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -46.82 -32.36 3.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.753 0.311 . . . . 0.0 110.869 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -58.38 -36.73 73.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -109.21 6.88 25.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 49.3 mmtm 58.77 53.91 5.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.451 ' CE ' ' CD ' ' A' ' 29' ' ' ARG . 3.3 ptm -157.82 160.11 37.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.501 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . 2.4 m-20 -64.22 170.66 3.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.898 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.3 mt -98.16 118.44 34.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.501 ' CZ ' ' HB2' ' A' ' 37' ' ' ASP . 1.9 m-85 -118.64 168.18 10.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.922 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 76.6 t -85.34 101.72 10.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.137 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.544 HD13 ' C ' ' A' ' 41' ' ' LEU . 0.6 OUTLIER -49.04 -67.31 0.28 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.456 ' HD3' ' N ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -147.36 -179.87 7.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.666 HD21 ' SD ' ' A' ' 55' ' ' MET . 11.8 mt -131.37 150.53 52.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.944 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.45 118.87 27.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.079 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.682 ' HA ' HD13 ' A' ' 50' ' ' ILE . 5.6 pt-20 -58.66 -33.3 69.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -111.54 36.66 3.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -119.97 165.18 13.56 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.531 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -16.2 37.49 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.742 2.294 . . . . 0.0 112.336 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.25 -60.72 2.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.105 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.682 HD13 ' HA ' ' A' ' 45' ' ' GLU . 9.4 tt -55.32 -15.29 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.16 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 39.4 mtp180 -94.2 -19.28 20.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.423 ' ND2' ' H ' ' A' ' 55' ' ' MET . 0.5 OUTLIER -65.72 -57.0 9.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.47 ' O ' ' CD ' ' A' ' 56' ' ' ARG . . . 98.03 -53.71 1.21 Allowed Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.475 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.555 ' O ' ' CZ ' ' A' ' 13' ' ' PHE . 17.8 mmt180 -40.35 -30.73 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.756 0.312 . . . . 0.0 110.851 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.666 ' SD ' HD21 ' A' ' 43' ' ' LEU . 0.2 OUTLIER -123.74 139.66 53.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.47 ' CD ' ' O ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -132.62 -176.11 3.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.84 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.613 HG23 HD12 ' A' ' 43' ' ' LEU . 95.0 t -91.0 117.02 33.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.116 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 114.88 19.54 5.99 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.472 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.763 ' HB2' HD21 ' A' ' 92' ' ' LEU . 1.0 OUTLIER -104.43 176.43 5.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.723 0.296 . . . . 0.0 110.896 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.495 ' NE2' ' O ' ' A' ' 61' ' ' ILE . 1.4 tm0? -120.48 118.23 29.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.568 HG12 HD13 ' A' ' 92' ' ' LEU . 14.4 mt -86.39 119.99 35.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.547 ' CG1' HD22 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -101.04 -18.06 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 179.872 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -142.09 151.72 42.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 78.5 mt -142.84 116.97 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.114 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 33.2 m-20 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.88 179.88 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 4.9 mtm . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.842 0.353 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 76' ' ' ARG . 35.5 p -106.38 145.81 31.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.414 ' C ' ' O ' ' A' ' 73' ' ' THR . 18.7 t-160 -37.2 -34.22 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.69 -46.78 83.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.115 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 73' ' ' THR . 6.7 tpt180 -54.7 -64.27 0.89 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -45.87 -33.06 2.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.105 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.6 mm -70.48 -32.39 49.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.13 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -84.02 -24.69 30.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.431 HD21 ' NE ' ' A' ' 76' ' ' ARG . 26.6 mt -67.92 -39.15 83.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 21.2 mt -63.83 -30.91 51.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.8 ptpt -97.04 -15.82 20.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 33.9 t -75.64 -34.65 60.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.832 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -71.33 -39.95 61.21 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.5 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 132.11 -127.83 5.06 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.497 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 19' ' ' LYS . 8.7 mtt-85 -94.31 -18.73 21.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.82 0.343 . . . . 0.0 110.879 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 31.3 mtm180 -109.47 122.81 48.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.756 HG22 HD23 ' A' ' 90' ' ' LEU . 8.8 p -122.96 124.68 70.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.12 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.405 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 17.4 ttp85 -118.74 112.49 19.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.756 HD23 HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -125.56 146.71 49.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.547 HD22 ' CG1' ' A' ' 62' ' ' ILE . 3.6 tt -84.69 112.83 20.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.763 HD21 ' HB2' ' A' ' 59' ' ' ASP . 6.7 tp . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.461 ' CE1' ' O ' ' A' ' 54' ' ' ARG . 19.4 p90 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.97 0.414 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 51.4 p -93.75 162.22 14.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.092 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.567 HG13 ' HB2' ' A' ' 54' ' ' ARG . 32.7 t -126.04 145.66 33.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.127 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -135.82 123.24 21.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.5 mtm -155.45 174.89 14.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.412 ' HA ' ' O ' ' A' ' 86' ' ' ARG . 3.8 mp0 -116.94 174.26 6.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.83 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 86' ' ' ARG . 13.0 ttmm . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.647 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -153.15 138.35 17.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.868 0.366 . . . . 0.0 110.877 -179.888 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.2 t -112.36 164.65 13.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.838 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -126.95 168.63 19.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.117 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.503 ' HB3' HD23 ' A' ' 41' ' ' LEU . 5.1 ptp85 -147.54 161.51 40.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.43 -167.69 53.31 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.505 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 132.01 168.58 12.11 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.487 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.44 ' NE ' ' HA ' ' A' ' 32' ' ' ARG . 3.2 mmp_? -49.16 -27.96 3.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.812 0.339 . . . . 0.0 110.884 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -61.86 -35.69 79.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -108.98 11.32 25.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 47.1 mmtt 57.85 47.26 15.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.2 ptm -152.45 162.55 41.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.49 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 0.4 OUTLIER -69.7 170.92 9.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.837 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.502 HD13 HD12 ' A' ' 64' ' ' ILE . 9.5 mt -95.76 116.14 28.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.494 ' CE2' ' HG2' ' A' ' 60' ' ' GLN . 1.8 m-85 -113.43 167.31 10.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 39.7 t -82.64 101.55 7.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.131 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.544 HD13 ' C ' ' A' ' 41' ' ' LEU . 1.0 OUTLIER -53.67 -66.07 0.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.466 ' HG2' ' N ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -150.42 150.11 30.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.814 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.466 ' N ' ' HG2' ' A' ' 42' ' ' ARG . 12.1 mt -106.03 151.13 25.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.69 118.58 29.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.885 ' HA ' HD13 ' A' ' 50' ' ' ILE . 7.9 pt-20 -59.67 -23.84 63.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.855 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -116.51 25.77 10.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -108.41 167.42 13.21 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.506 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -26.77 27.06 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.648 2.232 . . . . 0.0 112.357 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.459 ' CB ' ' HB3' ' A' ' 26' ' ' PHE . . . -65.61 -63.96 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.116 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.885 HD13 ' HA ' ' A' ' 45' ' ' GLU . 5.1 tt -46.98 -23.73 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.148 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 66.3 mtp180 -82.91 -31.26 27.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 49' ' ' ALA . 0.4 OUTLIER -58.06 -59.46 5.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.495 ' O ' ' N ' ' A' ' 55' ' ' MET . . . 98.65 -53.6 1.11 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.499 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.567 ' HB2' HG13 ' A' ' 15' ' ' VAL . 50.5 mmt-85 -36.84 -29.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.769 0.319 . . . . 0.0 110.878 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.495 ' N ' ' O ' ' A' ' 53' ' ' GLY . 3.1 ptm -125.28 146.11 49.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.464 ' HA ' HD11 ' A' ' 43' ' ' LEU . 5.3 mpt_? -140.13 -177.3 4.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 88.0 t -81.07 138.63 19.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.139 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 96.22 -24.82 28.51 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.482 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.977 ' CB ' HD21 ' A' ' 92' ' ' LEU . 6.0 m-20 -54.81 169.33 0.22 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.8 0.333 . . . . 0.0 110.84 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.495 ' NE2' ' O ' ' A' ' 61' ' ' ILE . 1.4 tm0? -121.43 117.68 27.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.592 HG12 HD13 ' A' ' 92' ' ' LEU . 6.7 mt -90.55 127.36 43.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.113 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.724 ' N ' HD13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -105.4 -16.87 7.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 179.878 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.41 ' HB3' ' CB ' ' A' ' 91' ' ' LEU . 16.2 tt0 -140.66 149.04 41.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.502 HD12 HD13 ' A' ' 38' ' ' LEU . 56.1 mt -141.19 119.9 10.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.162 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.41 ' ND2' ' O ' ' A' ' 80' ' ' LEU . 29.5 m-20 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.1 mtm . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.84 0.352 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 44.9 p -94.99 158.69 15.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.119 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.436 ' CE1' ' HA ' ' A' ' 29' ' ' ARG . 13.5 t-160 -44.27 -29.48 0.66 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.63 -50.33 38.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -49.6 -53.04 26.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.2 -50.13 67.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.089 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.4 ' HA ' HD12 ' A' ' 81' ' ' ILE . 2.9 mm -60.16 -16.96 13.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.072 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -95.21 -33.46 12.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.41 ' O ' ' ND2' ' A' ' 65' ' ' ASN . 30.7 mt -70.19 -40.26 74.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.4 HD12 ' HA ' ' A' ' 78' ' ' ILE . 20.7 mt -57.51 -32.7 42.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.159 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 7.3 ptpt -97.18 -12.08 23.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.6 t -81.17 -30.08 34.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.823 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -70.6 -43.39 60.7 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.501 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 134.7 -130.44 5.51 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.463 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 19' ' ' LYS . 6.8 mtm-85 -90.8 -24.34 20.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.79 0.328 . . . . 0.0 110.87 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 -109.3 130.62 55.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.666 HG22 HD23 ' A' ' 90' ' ' LEU . 11.9 p -124.86 142.19 42.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.131 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.407 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 42.6 ttt180 -133.25 121.17 22.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.666 HD23 HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -135.89 150.19 49.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.513 HD23 ' N ' ' A' ' 92' ' ' LEU . 3.7 tt -88.89 117.48 27.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.977 HD21 ' CB ' ' A' ' 59' ' ' ASP . 6.8 tp . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.482 ' CZ ' ' O ' ' A' ' 54' ' ' ARG . 11.4 p90 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.969 0.414 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 76.1 p -95.64 162.47 13.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.196 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.422 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 44.5 t -119.79 144.62 27.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.121 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -135.56 114.34 11.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.851 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.0 mtm -147.41 168.44 21.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.454 ' CG ' ' HG2' ' A' ' 87' ' ' ARG . 3.1 mt-10 -117.42 170.02 9.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 86' ' ' ARG . 12.3 ttmt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.628 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -153.3 137.17 16.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.884 0.374 . . . . 0.0 110.883 -179.887 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.6 t -111.02 158.28 18.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.841 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -123.18 170.08 13.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.136 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.591 ' HB3' HD23 ' A' ' 41' ' ' LEU . 10.8 ptt180 -150.49 165.32 33.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.866 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.05 -167.71 53.64 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.46 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.52 167.74 12.26 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.477 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -45.68 -34.52 3.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.781 0.324 . . . . 0.0 110.847 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -56.36 -39.99 73.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.405 ' HB2' ' SD ' ' A' ' 36' ' ' MET . 8.1 m-85 -104.57 18.09 22.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 68.8 mmtt 49.8 46.91 23.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.405 ' SD ' ' HB2' ' A' ' 34' ' ' TYR . 4.0 ptm -151.43 169.89 20.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.587 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 0.7 OUTLIER -77.3 170.63 16.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.88 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.3 mt -94.36 122.58 37.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.587 ' CE1' ' O ' ' A' ' 37' ' ' ASP . 1.0 OUTLIER -122.84 168.1 12.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 41.5 t -81.42 102.98 7.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.187 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.591 HD23 ' HB3' ' A' ' 29' ' ' ARG . 1.0 OUTLIER -55.3 -63.77 1.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.447 ' HG2' ' N ' ' A' ' 43' ' ' LEU . 0.5 OUTLIER -153.86 151.48 29.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.467 HD21 ' SD ' ' A' ' 55' ' ' MET . 11.9 mt -104.12 147.26 27.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.408 ' O ' ' CG2' ' A' ' 50' ' ' ILE . . . -85.21 118.5 24.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.142 179.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.834 ' HA ' HD13 ' A' ' 50' ' ' ILE . 11.4 pt-20 -61.52 -20.75 63.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -116.16 31.77 6.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.498 ' O ' HG22 ' A' ' 50' ' ' ILE . . . -122.56 164.57 15.53 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.512 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.429 ' N ' HH21 ' A' ' 51' ' ' ARG . 53.6 Cg_endo -69.8 -23.5 30.53 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.668 2.245 . . . . 0.0 112.328 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.452 ' CB ' ' HB3' ' A' ' 26' ' ' PHE . . . -65.62 -55.01 19.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.116 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.834 HD13 ' HA ' ' A' ' 45' ' ' GLU . 16.0 tt -58.2 -18.38 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.429 HH21 ' N ' ' A' ' 48' ' ' PRO . 48.2 mtm180 -94.62 -18.16 21.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -64.2 -55.75 19.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.422 ' O ' ' N ' ' A' ' 55' ' ' MET . . . 96.0 -54.26 1.61 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.506 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.482 ' O ' ' CZ ' ' A' ' 13' ' ' PHE . 66.0 mtt85 -37.61 -32.01 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.841 0.353 . . . . 0.0 110.885 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.571 ' HB2' HD22 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -124.58 150.21 46.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.424 ' HA ' HD11 ' A' ' 43' ' ' LEU . 5.0 mpt_? -142.31 -178.13 5.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 94.4 t -84.63 122.81 38.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.132 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 116.04 -33.94 4.95 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.492 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.796 ' HB2' HD21 ' A' ' 92' ' ' LEU . 57.2 m-20 -50.98 168.75 0.05 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.788 0.328 . . . . 0.0 110.812 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.456 HE22 HG23 ' A' ' 62' ' ' ILE . 17.0 tm0? -117.41 121.56 41.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.963 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.658 HG12 HD13 ' A' ' 92' ' ' LEU . 8.4 mt -93.52 128.63 44.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.488 ' N ' HD13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -107.36 -20.41 6.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 179.854 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -137.83 148.66 45.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 75.8 mt -141.4 123.98 14.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.092 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.422 ' ND2' ' O ' ' A' ' 80' ' ' LEU . 25.9 m-20 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 9.3 mtm . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.854 0.359 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 75' ' ' ALA . 67.6 p -107.17 146.5 31.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.447 ' CE1' ' HA ' ' A' ' 29' ' ' ARG . 13.6 t-160 -34.44 -36.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 73' ' ' THR . . . -61.26 -54.03 49.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.487 ' NE ' HD21 ' A' ' 80' ' ' LEU . 6.2 tpt180 -47.67 -55.8 8.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -49.66 -48.8 49.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.12 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.5 mm -60.82 -21.2 23.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.6 -33.25 16.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.828 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.487 HD21 ' NE ' ' A' ' 76' ' ' ARG . 40.2 mt -67.79 -39.66 84.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 24.7 mt -60.15 -33.76 54.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.158 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.406 ' HA ' ' NZ ' ' A' ' 19' ' ' LYS . 0.8 OUTLIER -97.44 -19.37 18.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.827 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.0 t -77.26 -30.12 54.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.872 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -68.63 -46.99 59.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.473 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 137.16 -132.0 5.8 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.468 ' O ' ' N ' ' A' ' 19' ' ' LYS . 43.1 mtt180 -92.12 -21.53 20.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.816 0.341 . . . . 0.0 110.855 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.454 ' HG2' ' CG ' ' A' ' 18' ' ' GLU . 62.7 mtt180 -115.34 122.88 47.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.603 HG22 HD23 ' A' ' 90' ' ' LEU . 11.0 p -118.82 145.75 24.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.169 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.422 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 43.6 ttt180 -136.13 117.24 14.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.603 HD23 HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -129.45 147.24 51.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.563 HD23 ' N ' ' A' ' 92' ' ' LEU . 4.0 tt -82.81 120.48 25.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.796 HD21 ' HB2' ' A' ' 59' ' ' ASP . 7.4 tp . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.542 ' CD1' ' O ' ' A' ' 92' ' ' LEU . 30.1 p90 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.951 0.405 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 64.4 p -103.93 157.33 17.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.162 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 44.6 t -114.39 143.32 24.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.146 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -135.64 110.85 8.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.5 mtm -145.39 178.5 8.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.476 ' CG ' ' HG2' ' A' ' 87' ' ' ARG . 7.9 mt-10 -128.25 173.74 9.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 86' ' ' ARG . 9.2 ttmt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.636 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -152.32 143.24 23.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.853 0.359 . . . . 0.0 110.84 -179.847 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.5 t -115.28 172.18 7.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.405 ' O ' ' NE2' ' A' ' 74' ' ' HIS . 0.6 OUTLIER -136.49 170.26 18.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.183 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.495 ' HA ' ' CE1' ' A' ' 74' ' ' HIS . 4.7 ptp180 -151.25 170.06 20.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.45 -171.26 51.7 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.474 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 130.89 171.76 12.97 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.5 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.5 mmt180 -50.64 -27.32 6.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.778 0.323 . . . . 0.0 110.883 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -62.55 -32.81 73.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -114.68 12.13 17.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.96 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.82 53.63 10.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.3 ptm -157.54 163.02 38.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.553 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 1.2 m-20 -67.34 171.0 6.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.5 mt -97.65 117.69 32.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.553 ' CE1' ' O ' ' A' ' 37' ' ' ASP . 0.4 OUTLIER -119.47 163.61 17.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 64.8 t -78.89 111.62 15.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.125 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.496 HD13 ' C ' ' A' ' 41' ' ' LEU . 2.1 tm? -61.07 -57.61 11.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.473 ' HG2' ' N ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -158.73 149.3 19.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.698 HD11 ' HA ' ' A' ' 56' ' ' ARG . 10.8 mt -100.55 151.07 22.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -86.39 116.68 24.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.754 ' HA ' HD13 ' A' ' 50' ' ' ILE . 15.9 pt-20 -63.11 -22.77 67.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -113.12 15.67 19.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -103.35 167.07 16.46 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.47 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -29.02 24.28 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.678 2.252 . . . . 0.0 112.336 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.32 -60.88 3.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.074 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.754 HD13 ' HA ' ' A' ' 45' ' ' GLU . 5.6 tt -53.35 -16.83 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.127 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.2 mtp-105 -89.76 -27.28 20.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.59 -58.26 8.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 55' ' ' MET . . . 98.85 -54.21 1.05 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.489 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.511 ' O ' ' CE2' ' A' ' 13' ' ' PHE . 11.9 mmp_? -37.46 -31.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.821 0.344 . . . . 0.0 110.85 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.447 ' N ' ' O ' ' A' ' 53' ' ' GLY . 2.2 ptm -127.24 140.43 52.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.698 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.4 OUTLIER -135.99 171.5 14.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.891 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.426 HG12 ' H ' ' A' ' 57' ' ' VAL . 0.2 OUTLIER -79.98 128.84 38.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.155 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 112.67 2.2 25.71 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.528 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.803 ' HB2' HD21 ' A' ' 92' ' ' LEU . 1.7 m-20 -92.76 170.69 9.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.739 0.304 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 61' ' ' ILE . 5.8 tm0? -112.18 114.54 27.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.632 HG12 HD13 ' A' ' 92' ' ' LEU . 23.7 mt -83.05 125.65 40.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.687 ' N ' HD13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -103.16 -23.96 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.87 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -137.38 154.7 49.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 96.1 mt -142.48 115.17 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.469 ' ND2' ' O ' ' A' ' 80' ' ' LEU . 34.0 m-20 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.829 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 4.1 mtm . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.819 0.342 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.418 ' O ' ' N ' ' A' ' 75' ' ' ALA . 35.6 p -97.55 148.89 22.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.133 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.495 ' CE1' ' HA ' ' A' ' 29' ' ' ARG . 17.1 t-160 -40.07 -28.38 0.05 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 73' ' ' THR . . . -69.68 -49.89 49.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.103 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.408 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 7.7 tpt180 -54.17 -59.4 4.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -48.49 -34.55 11.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.163 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.4 HG12 ' O ' ' A' ' 74' ' ' HIS . 4.8 mm -69.34 -27.51 34.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 76' ' ' ARG . 1.8 pt-20 -88.5 -23.59 23.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.469 ' O ' ' ND2' ' A' ' 65' ' ' ASN . 83.3 mt -71.65 -42.87 67.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 23.8 mt -57.61 -32.41 42.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.162 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -97.22 -16.27 20.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 39.0 t -73.84 -32.52 63.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -69.15 -39.98 82.82 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.534 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 130.4 -139.71 11.17 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.51 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 19' ' ' LYS . 15.7 mtm180 -82.29 -22.51 35.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.79 0.328 . . . . 0.0 110.867 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.476 ' HG2' ' CG ' ' A' ' 18' ' ' GLU . 70.7 mtp180 -112.47 123.06 49.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.601 HG22 HD23 ' A' ' 90' ' ' LEU . 10.6 p -118.85 147.21 22.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.149 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 19.9 ttm180 -140.72 116.91 10.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.601 HD23 HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -127.78 150.5 49.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.486 HD23 ' N ' ' A' ' 92' ' ' LEU . 2.0 tt -87.18 112.0 21.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.803 HD21 ' HB2' ' A' ' 59' ' ' ASP . 8.5 tp . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.495 ' CE1' ' O ' ' A' ' 54' ' ' ARG . 32.7 p90 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.929 0.395 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 59.2 p -102.72 156.54 17.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.105 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.404 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 66.5 t -114.01 143.78 23.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.107 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -135.29 115.98 13.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.8 mtm -151.68 171.73 17.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.871 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -117.09 174.69 5.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 86' ' ' ARG . 35.4 ttmt . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.654 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -153.09 140.93 20.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.869 0.366 . . . . 0.0 110.896 -179.898 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.2 t -117.95 165.23 13.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -126.55 169.88 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.12 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.468 ' HA ' ' CE1' ' A' ' 74' ' ' HIS . 4.0 ptp180 -145.99 165.06 30.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.5 -167.11 53.81 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 132.05 168.21 12.02 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.521 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -52.41 -19.03 1.9 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.747 0.308 . . . . 0.0 110.864 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -69.13 -36.41 77.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -107.87 8.04 28.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.6 mptt 60.79 50.36 5.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.2 ptm -153.88 167.06 30.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.545 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 22.6 m-20 -73.4 170.51 14.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.464 HD13 ' CD1' ' A' ' 64' ' ' ILE . 12.4 mt -94.57 117.53 30.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.918 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.545 ' CE1' ' O ' ' A' ' 37' ' ' ASP . 1.5 m-85 -118.01 167.1 11.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.479 HG21 ' O ' ' A' ' 56' ' ' ARG . 29.7 t -76.5 112.54 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.133 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.556 HD13 ' C ' ' A' ' 41' ' ' LEU . 3.5 tm? -66.87 -60.78 2.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.443 ' HG2' ' N ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -155.35 149.28 25.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.443 ' N ' ' HG2' ' A' ' 42' ' ' ARG . 11.8 mt -107.22 150.2 26.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.82 117.87 28.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.107 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.872 ' HA ' HD13 ' A' ' 50' ' ' ILE . 14.5 pt-20 -62.46 -15.12 48.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -121.17 12.24 11.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -96.76 168.24 24.83 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.492 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -25.75 28.45 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.702 2.268 . . . . 0.0 112.364 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 52' ' ' ASN . . . -64.42 -66.03 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.872 HD13 ' HA ' ' A' ' 45' ' ' GLU . 3.8 tt -45.96 -22.75 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -84.84 -32.25 23.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.846 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 49' ' ' ALA . 0.3 OUTLIER -58.1 -59.4 5.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.917 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' A' ' 55' ' ' MET . . . 99.36 -54.09 0.99 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.434 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.495 ' O ' ' CE1' ' A' ' 13' ' ' PHE . 16.5 mmt85 -34.52 -32.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.789 0.328 . . . . 0.0 110.861 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.5 ' N ' ' O ' ' A' ' 53' ' ' GLY . 4.1 ptm -123.92 144.94 49.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.479 ' O ' HG21 ' A' ' 40' ' ' VAL . 0.4 OUTLIER -138.02 -176.32 4.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.831 -179.89 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.442 HG23 HD12 ' A' ' 43' ' ' LEU . 57.7 t -85.5 140.51 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 92.31 3.77 66.95 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.472 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.89 ' CB ' HD21 ' A' ' 92' ' ' LEU . 4.0 m-20 -87.54 166.77 14.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.769 0.318 . . . . 0.0 110.841 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.465 ' NE2' ' O ' ' A' ' 61' ' ' ILE . 1.4 tm0? -113.22 119.02 36.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.616 HG12 HD13 ' A' ' 92' ' ' LEU . 12.4 mt -90.84 122.8 42.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.576 ' N ' HD13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -100.45 -35.05 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.161 179.833 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -120.56 145.33 47.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.464 ' CD1' HD13 ' A' ' 38' ' ' LEU . 50.9 mt -137.77 110.49 7.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.127 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.481 ' ND2' ' O ' ' A' ' 80' ' ' LEU . 34.2 m-20 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 4.9 mtm . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.851 0.357 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 40.7 p -91.87 154.67 18.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.468 ' CE1' ' HA ' ' A' ' 29' ' ' ARG . 9.5 t-160 -40.46 -33.09 0.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.83 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.23 -54.96 21.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.08 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -48.75 -47.95 41.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.865 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.28 -47.76 82.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.108 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.449 ' HA ' HD12 ' A' ' 81' ' ' ILE . 2.8 mm -62.45 -17.95 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.083 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -93.72 -33.05 13.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.481 ' O ' ' ND2' ' A' ' 65' ' ' ASN . 24.9 mt -68.85 -35.58 77.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.449 HD12 ' HA ' ' A' ' 78' ' ' ILE . 21.3 mt -62.56 -35.5 70.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -97.08 -12.76 22.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.5 t -74.03 -34.87 64.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -70.05 -42.53 67.84 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.474 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 134.94 -131.88 6.04 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.506 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 19' ' ' LYS . 49.0 mtt180 -90.68 -18.36 25.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.756 0.312 . . . . 0.0 110.869 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.473 ' CZ ' ' HB2' ' A' ' 87' ' ' ARG . 21.4 mtm105 -111.55 123.84 51.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.686 HG22 HD23 ' A' ' 90' ' ' LEU . 10.9 p -122.39 144.73 30.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.404 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 17.0 ttm180 -139.04 114.13 9.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.851 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.686 HD23 HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -127.8 147.71 50.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.953 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.466 HD23 ' N ' ' A' ' 92' ' ' LEU . 3.2 tt -88.43 115.39 25.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.89 HD21 ' CB ' ' A' ' 59' ' ' ASP . 10.2 tp . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.939 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.625 ' CD1' ' O ' ' A' ' 92' ' ' LEU . 30.3 p90 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.987 0.422 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 76.6 p -100.84 155.38 17.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 85.3 t -110.55 142.55 22.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -135.81 114.54 11.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.3 mtm -150.3 174.72 12.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -119.42 175.07 6.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 86' ' ' ARG . 26.2 ttmt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.654 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -153.04 143.62 22.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.9 0.381 . . . . 0.0 110.857 -179.881 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 46.6 t -118.99 164.37 15.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.808 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.402 ' O ' ' NE2' ' A' ' 74' ' ' HIS . 0.7 OUTLIER -124.06 169.21 15.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.104 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.583 ' HA ' ' CE1' ' A' ' 74' ' ' HIS . 1.2 ptp180 -148.25 156.02 42.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.63 -172.48 53.44 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 138.37 171.08 12.04 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.527 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.8 mmm180 -55.5 -17.58 5.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.765 0.317 . . . . 0.0 110.837 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.496 ' N ' HG22 ' A' ' 73' ' ' THR . 5.1 tp10 -72.87 -32.52 65.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.417 ' C ' ' HD2' ' A' ' 35' ' ' LYS . 16.7 m-85 -108.92 6.29 25.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.417 ' HD2' ' C ' ' A' ' 34' ' ' TYR . 8.3 mptt 64.55 41.32 5.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.925 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 2.7 ptm -147.92 165.32 31.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.528 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 3.8 m-20 -72.54 170.98 13.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.854 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.5 mt -95.59 118.15 31.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.946 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.528 ' CE1' ' O ' ' A' ' 37' ' ' ASP . 1.4 m-85 -117.34 167.78 10.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 86.6 t -82.56 100.13 6.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.128 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.516 HD13 ' C ' ' A' ' 41' ' ' LEU . 3.3 tm? -49.17 -65.3 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.472 ' HD3' ' N ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -147.42 -177.82 5.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.517 HD11 ' HA ' ' A' ' 56' ' ' ARG . 10.8 mt -134.74 147.61 50.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.958 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -88.34 120.04 29.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.068 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.836 ' HA ' HD13 ' A' ' 50' ' ' ILE . 12.7 pt-20 -60.84 -24.45 65.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -116.06 23.85 11.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -104.77 168.42 16.03 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.452 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -26.35 27.77 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.727 2.285 . . . . 0.0 112.387 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 52' ' ' ASN . . . -65.29 -67.05 0.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.137 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.836 HD13 ' HA ' ' A' ' 45' ' ' GLU . 4.5 tt -44.75 -21.65 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 51.8 mtp85 -87.08 -33.29 19.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.825 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 49' ' ' ALA . 0.4 OUTLIER -56.77 -57.54 12.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.918 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.502 ' O ' ' N ' ' A' ' 55' ' ' MET . . . 96.41 -53.53 1.53 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.469 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.45 ' O ' ' CZ ' ' A' ' 13' ' ' PHE . 14.5 mtp180 -36.37 -29.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.779 0.323 . . . . 0.0 110.863 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.502 ' N ' ' O ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -123.09 161.94 23.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.517 ' HA ' HD11 ' A' ' 43' ' ' LEU . 1.3 mpp_? -155.89 -175.19 5.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.861 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 42.7 t -86.93 135.17 25.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.151 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 99.47 7.41 54.07 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.48 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.772 ' CB ' HD21 ' A' ' 92' ' ' LEU . 70.0 m-20 -90.34 157.24 17.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.78 0.324 . . . . 0.0 110.85 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.501 ' NE2' ' O ' ' A' ' 61' ' ' ILE . 3.6 tm0? -109.07 109.55 20.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.501 ' O ' ' NE2' ' A' ' 60' ' ' GLN . 8.0 mt -82.25 136.23 23.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.116 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.568 ' N ' HD13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -116.85 -26.65 2.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.163 179.855 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -130.64 135.27 47.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 50.3 mt -132.34 123.51 50.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.099 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.422 ' ND2' ' O ' ' A' ' 80' ' ' LEU . 51.5 m-20 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 5.5 mtm . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.877 0.37 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.496 HG22 ' N ' ' A' ' 33' ' ' GLU . 49.1 p -91.88 166.9 12.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.167 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.583 ' CE1' ' HA ' ' A' ' 29' ' ' ARG . 9.3 t-160 -53.83 -24.02 14.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.938 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.03 -51.39 16.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.074 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -48.75 -54.77 13.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.78 -50.06 64.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.088 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.535 ' HA ' HD12 ' A' ' 81' ' ' ILE . 2.8 mm -60.19 -17.77 14.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.92 -33.62 12.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.422 ' O ' ' ND2' ' A' ' 65' ' ' ASN . 33.8 mt -69.78 -38.99 76.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.952 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.535 HD12 ' HA ' ' A' ' 78' ' ' ILE . 12.5 mt -58.71 -32.47 46.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.145 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -97.11 -14.88 21.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.4 t -78.78 -31.75 46.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -70.39 -34.59 68.61 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.521 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 127.37 -127.94 6.0 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.483 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 19' ' ' LYS . 18.8 mtt-85 -96.43 -17.98 20.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.787 0.327 . . . . 0.0 110.889 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 26.1 mtp85 -111.85 127.55 55.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.62 HG22 HD23 ' A' ' 90' ' ' LEU . 14.3 p -123.41 140.35 47.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.159 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.406 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 5.5 ttp180 -133.68 121.54 22.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.62 HD23 HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -136.81 149.2 47.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.75 HD23 ' N ' ' A' ' 92' ' ' LEU . 3.2 tt -82.6 129.04 34.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.966 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.772 HD21 ' CB ' ' A' ' 59' ' ' ASP . 11.0 tp . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.939 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.544 ' CE1' ' O ' ' A' ' 54' ' ' ARG . 18.4 p90 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.944 0.402 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 32.2 p -101.07 158.99 15.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.114 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 39.4 t -113.98 143.35 23.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.145 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -135.62 114.52 12.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.3 mtm -149.6 173.25 13.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -124.01 171.58 9.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 86' ' ' ARG . 9.7 ttmt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.922 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.611 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.4 OUTLIER -152.78 147.07 25.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.873 0.368 . . . . 0.0 110.884 -179.911 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.2 t -119.68 164.04 16.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.415 HG22 ' CD1' ' A' ' 61' ' ' ILE . 0.7 OUTLIER -126.1 170.2 16.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.454 ' HD2' ' N ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -149.76 167.42 26.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.827 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.454 ' N ' ' HD2' ' A' ' 29' ' ' ARG . . . 74.27 -169.93 53.71 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.473 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 131.74 168.68 12.17 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -49.41 -27.25 3.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.767 0.318 . . . . 0.0 110.85 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.498 ' OE1' ' CZ ' ' A' ' 34' ' ' TYR . 4.4 tt0 -61.93 -36.06 80.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.498 ' CZ ' ' OE1' ' A' ' 33' ' ' GLU . 1.9 m-85 -110.59 11.75 22.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.6 mptt 54.44 52.73 11.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.886 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.435 ' CE ' ' CD ' ' A' ' 29' ' ' ARG . 3.6 ptm -155.67 161.61 40.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.521 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . 2.8 m-20 -66.0 171.04 4.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.7 mt -97.42 123.86 41.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.521 ' CZ ' ' HB2' ' A' ' 37' ' ' ASP . 2.4 m-85 -124.58 163.81 21.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 85.1 t -79.15 100.93 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.052 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.465 HD13 ' C ' ' A' ' 41' ' ' LEU . 0.5 OUTLIER -49.06 -66.87 0.33 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.888 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.473 ' HG2' ' N ' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -152.3 149.26 28.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.854 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.728 HD11 ' HA ' ' A' ' 56' ' ' ARG . 10.8 mt -98.48 151.18 20.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -91.16 113.33 25.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.096 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.878 ' HA ' HD13 ' A' ' 50' ' ' ILE . 11.9 pt-20 -58.32 -26.08 62.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -107.25 25.65 11.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.42 ' O ' HG22 ' A' ' 50' ' ' ILE . . . -114.88 163.56 12.17 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.539 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -22.26 32.28 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.696 2.264 . . . . 0.0 112.374 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.05 -58.05 6.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.878 HD13 ' HA ' ' A' ' 45' ' ' GLU . 8.4 tt -52.67 -15.63 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 77.7 mtt180 -92.07 -26.78 18.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -61.77 -60.2 4.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.485 ' O ' ' N ' ' A' ' 55' ' ' MET . . . 100.29 -54.01 0.91 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.544 ' O ' ' CE1' ' A' ' 13' ' ' PHE . 21.2 mmt180 -36.48 -30.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.85 0.357 . . . . 0.0 110.93 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.554 ' HB2' HD22 ' A' ' 92' ' ' LEU . 3.2 ptm -128.99 143.51 50.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.728 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -141.15 171.41 14.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.433 HG12 ' H ' ' A' ' 57' ' ' VAL . 0.2 OUTLIER -78.12 122.33 32.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 117.71 0.93 17.72 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.513 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.856 ' HB2' HD21 ' A' ' 92' ' ' LEU . 1.1 m-20 -89.51 -177.02 5.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 110.875 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 61' ' ' ILE . 3.2 tm0? -123.37 116.77 23.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.498 ' O ' ' NE2' ' A' ' 60' ' ' GLN . 6.7 mt -86.87 121.36 37.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.163 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.557 ' N ' HD13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -104.98 -19.91 6.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.099 179.903 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.474 ' HB3' ' CB ' ' A' ' 91' ' ' LEU . 15.4 tp10 -136.75 155.5 49.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.834 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 72.3 mt -147.72 115.13 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.132 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.3 m-20 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 179.962 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 5.9 mtm . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.871 0.367 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 76' ' ' ARG . 53.0 p -100.77 147.74 25.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 17.7 t-160 -38.51 -36.95 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.827 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.71 -46.67 87.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 73' ' ' THR . 8.0 tpt180 -53.08 -64.86 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -46.35 -38.51 8.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.088 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.8 mm -62.58 -31.3 51.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 76' ' ' ARG . 1.5 pt-20 -84.64 -28.19 26.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 46.9 mt -65.94 -38.88 89.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 20.4 mt -62.83 -30.29 49.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.167 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -97.32 -16.07 20.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.4 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 7.8 t -75.41 -34.22 61.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -68.28 -42.93 81.57 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.481 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 129.08 -140.69 11.91 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.454 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.469 ' O ' ' N ' ' A' ' 19' ' ' LYS . 15.6 mtt-85 -78.27 -25.23 46.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.863 0.363 . . . . 0.0 110.928 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 42.6 mtm180 -109.96 123.13 49.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.825 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.745 HG22 HD23 ' A' ' 90' ' ' LEU . 9.2 p -120.35 137.34 54.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.148 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 26.5 ttt180 -131.5 111.91 12.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.745 HD23 HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -124.83 145.71 49.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.474 ' CB ' ' HB3' ' A' ' 63' ' ' GLU . 2.0 tt -86.37 108.99 18.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.945 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.856 HD21 ' HB2' ' A' ' 59' ' ' ASP . 10.8 tp . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.586 ' CD1' ' O ' ' A' ' 92' ' ' LEU . 19.6 p90 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.944 0.402 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 68.1 p -94.23 159.71 15.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.163 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.2 t -116.87 149.54 19.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.174 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -135.51 117.23 15.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.7 mtm -151.57 171.78 17.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.844 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -122.82 173.92 7.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 86' ' ' ARG . 1.5 ttmm . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.634 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -153.31 132.72 12.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.853 0.359 . . . . 0.0 110.849 -179.856 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 31.7 t -106.81 161.22 14.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -125.54 169.8 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.1 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.559 ' HA ' ' CE1' ' A' ' 74' ' ' HIS . 1.8 ptp180 -149.53 162.97 39.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.837 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.31 -173.01 54.17 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.488 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 131.7 175.66 14.09 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.465 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 -57.21 -12.41 2.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.814 0.34 . . . . 0.0 110.861 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.475 ' CG ' ' HB ' ' A' ' 73' ' ' THR . 19.0 mt-10 -76.75 -28.9 55.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -118.17 6.92 12.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.9 mmmm 61.53 49.04 5.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.889 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.2 ptm -153.7 163.52 39.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.582 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 0.8 OUTLIER -68.31 171.12 7.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.4 mt -95.4 117.05 29.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.582 ' CE1' ' O ' ' A' ' 37' ' ' ASP . 0.7 OUTLIER -116.75 168.17 10.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.4 t -82.13 106.57 13.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.131 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.561 HD13 ' C ' ' A' ' 41' ' ' LEU . 2.7 tm? -58.64 -65.23 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.458 ' HG2' ' N ' ' A' ' 43' ' ' LEU . 0.8 OUTLIER -149.97 150.46 31.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.696 HD11 ' HA ' ' A' ' 56' ' ' ARG . 12.4 mt -102.87 151.21 22.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.404 ' HB3' ' HA3' ' A' ' 47' ' ' GLY . . . -87.52 114.46 24.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.094 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.808 ' HA ' HD13 ' A' ' 50' ' ' ILE . 2.5 pp20? -54.61 -41.05 69.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -101.53 19.07 18.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.404 ' HA3' ' HB3' ' A' ' 44' ' ' ALA . . . -100.29 164.06 19.12 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.476 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -18.94 36.66 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.67 2.247 . . . . 0.0 112.346 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.42 -62.3 1.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.808 HD13 ' HA ' ' A' ' 45' ' ' GLU . 7.0 tt -51.2 -19.06 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.111 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -87.61 -27.32 22.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.04 -56.05 22.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.497 ' O ' ' CD ' ' A' ' 56' ' ' ARG . . . 95.19 -53.79 1.84 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.471 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.435 ' O ' ' CZ ' ' A' ' 13' ' ' PHE . 17.6 mmt85 -36.98 -29.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.75 0.31 . . . . 0.0 110.83 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.486 ' N ' ' O ' ' A' ' 53' ' ' GLY . 2.3 ptt? -127.64 137.7 52.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.696 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -134.67 -174.49 3.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.908 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 48.3 t -89.03 131.25 36.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.127 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 111.17 -7.32 28.91 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.482 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.848 ' HB2' HD21 ' A' ' 92' ' ' LEU . 1.3 m-20 -84.58 171.28 12.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.77 0.319 . . . . 0.0 110.887 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.629 HE21 ' N ' ' A' ' 61' ' ' ILE . 0.9 OUTLIER -117.8 124.5 48.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.629 ' N ' HE21 ' A' ' 60' ' ' GLN . 12.7 mt -95.61 119.89 44.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.635 ' N ' HD13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -98.38 -17.1 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.85 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -139.54 156.01 47.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 89.7 mt -147.23 113.39 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.163 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.495 ' ND2' ' O ' ' A' ' 80' ' ' LEU . 24.5 m-20 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 4.9 mtm . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.893 0.377 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.475 ' HB ' ' CG ' ' A' ' 33' ' ' GLU . 9.7 p -91.71 143.65 26.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.559 ' CE1' ' HA ' ' A' ' 29' ' ' ARG . 11.1 t-160 -34.05 -37.4 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 73' ' ' THR . . . -60.0 -53.73 54.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.066 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' A' ' 73' ' ' THR . 9.6 tpp180 -48.38 -52.07 23.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.836 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -53.01 -50.96 63.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.422 HG22 ' O ' ' A' ' 78' ' ' ILE . 3.3 mm -57.17 -14.56 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.125 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.92 -41.97 8.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.495 ' O ' ' ND2' ' A' ' 65' ' ' ASN . 25.7 mt -59.62 -36.1 75.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 26.3 mt -62.64 -36.09 73.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.145 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.3 ptpt -96.43 -11.5 25.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.2 t -83.47 -28.38 28.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.838 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -71.79 -37.28 61.27 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.472 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 127.91 -137.38 9.74 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.492 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 19' ' ' LYS . 22.5 mtt-85 -86.34 -21.92 26.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.779 0.323 . . . . 0.0 110.868 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 58.4 mtt180 -114.22 122.85 48.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.669 HG22 HD23 ' A' ' 90' ' ' LEU . 7.7 p -118.74 143.74 28.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.171 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 21.9 ttm180 -137.26 112.45 9.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.669 HD23 HG22 ' A' ' 88' ' ' VAL . 0.1 OUTLIER -121.38 154.48 36.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.567 HD22 ' CG1' ' A' ' 62' ' ' ILE . 2.2 tt -91.28 111.2 22.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.916 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.848 HD21 ' HB2' ' A' ' 59' ' ' ASP . 11.4 tp . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.605 ' CD1' ' O ' ' A' ' 92' ' ' LEU . 13.7 p90 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.96 0.41 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 77.2 p -92.93 161.48 14.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.14 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 47.7 t -121.23 148.66 24.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.137 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -135.81 118.24 15.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.8 mtm -151.52 171.35 17.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.942 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -118.62 174.44 6.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 86' ' ' ARG . 18.3 ttmt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.659 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -150.78 137.8 19.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.901 0.382 . . . . 0.0 110.859 -179.88 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.9 t -116.71 159.22 22.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.838 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -119.98 167.34 13.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.178 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.96 164.96 29.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.17 -162.41 53.63 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.492 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 132.47 171.7 12.84 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.536 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.468 ' NE ' ' HA ' ' A' ' 32' ' ' ARG . 3.3 mmp_? -55.59 -29.97 60.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.785 0.326 . . . . 0.0 110.876 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -60.9 -37.85 83.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -102.86 17.29 24.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.964 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp 50.81 46.8 25.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.902 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.8 ptm -151.84 162.95 40.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.93 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.537 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 1.9 m-20 -72.03 171.21 12.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.4 mt -94.81 124.53 38.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.537 ' CE1' ' O ' ' A' ' 37' ' ' ASP . 2.3 m-85 -123.4 167.26 14.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.7 t -78.59 98.69 2.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.131 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.563 HD13 ' C ' ' A' ' 41' ' ' LEU . 0.9 OUTLIER -51.31 -61.42 2.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.464 ' HG2' ' N ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -155.64 151.56 27.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.934 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.464 ' N ' ' HG2' ' A' ' 42' ' ' ARG . 10.3 mt -107.08 145.44 32.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -84.59 119.12 24.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.88 ' HA ' HD13 ' A' ' 50' ' ' ILE . 17.2 pt-20 -61.95 -27.08 68.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.935 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -111.91 27.71 9.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -112.02 169.94 13.37 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.494 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -28.26 25.56 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.728 2.285 . . . . 0.0 112.334 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 52' ' ' ASN . . . -61.95 -68.85 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.079 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.88 HD13 ' HA ' ' A' ' 45' ' ' GLU . 4.8 tt -42.92 -25.13 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.134 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 90.3 mtt-85 -82.65 -35.25 27.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.472 ' N ' ' O ' ' A' ' 49' ' ' ALA . 0.3 OUTLIER -55.8 -60.14 3.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.508 ' O ' ' N ' ' A' ' 55' ' ' MET . . . 97.97 -51.79 1.29 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.452 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.505 ' O ' ' CE2' ' A' ' 13' ' ' PHE . 74.7 mtt-85 -33.76 -33.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.784 0.326 . . . . 0.0 110.904 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.523 ' HB2' HD22 ' A' ' 92' ' ' LEU . 9.0 ptm -126.8 149.98 49.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.422 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -138.83 -175.18 4.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 79.7 t -85.38 144.38 9.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 95.26 -25.58 23.59 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.507 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.905 ' CB ' HD21 ' A' ' 92' ' ' LEU . 30.9 m-20 -56.15 173.84 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.786 0.327 . . . . 0.0 110.868 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.7 tm0? -123.21 116.57 23.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.556 HG12 HD13 ' A' ' 92' ' ' LEU . 5.3 mt -86.64 130.15 37.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.489 ' N ' HD13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -107.82 -21.46 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.129 179.877 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -143.25 158.68 43.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.842 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 78.1 mt -147.89 126.82 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.111 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 27.8 m-20 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.852 179.937 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 8.6 mtm . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.854 0.359 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 74' ' ' HIS . 30.9 p -99.44 149.0 23.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.161 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.406 ' C ' ' O ' ' A' ' 73' ' ' THR . 12.7 t-160 -36.72 -37.04 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.32 -53.55 55.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.082 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.503 ' NE ' HD21 ' A' ' 80' ' ' LEU . 6.6 tpt180 -49.05 -55.31 12.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -51.73 -46.44 64.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.131 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 3.4 mm -62.99 -18.97 22.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.146 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -93.43 -32.24 14.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.503 HD21 ' NE ' ' A' ' 76' ' ' ARG . 30.7 mt -66.71 -37.64 85.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.892 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 21.8 mt -62.0 -34.38 62.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 7.8 ptpt -96.82 -15.84 21.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.4 t -79.0 -22.85 44.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -77.81 -50.72 6.28 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.446 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 144.0 -131.87 4.62 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.497 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 19' ' ' LYS . 12.4 mtm-85 -90.58 -23.74 20.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.786 0.327 . . . . 0.0 110.828 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 67.1 mtp180 -112.18 125.61 54.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.633 HG22 HD23 ' A' ' 90' ' ' LEU . 14.9 p -120.13 138.09 51.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.114 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.403 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 9.2 ttp180 -131.38 113.4 13.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.633 HD23 HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -123.21 154.11 39.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.479 HD22 ' CG1' ' A' ' 62' ' ' ILE . 2.7 tt -91.15 110.07 21.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.905 HD21 ' CB ' ' A' ' 59' ' ' ASP . 9.8 tp . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.503 ' CE1' ' O ' ' A' ' 54' ' ' ARG . 9.5 p90 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.915 0.388 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.549 HG21 HH21 ' A' ' 89' ' ' ARG . 22.3 p -91.73 155.0 18.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.136 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 84.6 t -111.52 143.79 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -135.06 120.05 18.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.8 mtm -154.67 174.23 15.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -118.85 174.05 6.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 86' ' ' ARG . 9.8 ttpt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.943 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.655 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -153.29 136.88 15.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.832 0.349 . . . . 0.0 110.857 -179.859 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.409 ' HB3' ' HB3' ' A' ' 41' ' ' LEU . 1.1 m -111.69 160.88 16.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -124.85 170.26 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.166 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.647 ' HB3' HD23 ' A' ' 41' ' ' LEU . 4.9 ptp85 -151.4 170.03 20.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.5 -172.47 48.12 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.473 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 130.4 171.68 12.97 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.533 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 -48.78 -28.11 3.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.75 0.31 . . . . 0.0 110.873 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -61.73 -38.51 88.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -108.32 13.11 25.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt 54.66 48.84 19.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.91 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.6 ptm -153.44 165.02 37.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.601 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 3.7 m-20 -70.19 171.34 9.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.8 mt -96.56 122.64 39.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.601 ' CE1' ' O ' ' A' ' 37' ' ' ASP . 0.5 OUTLIER -124.84 166.76 15.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.925 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.2 t -76.39 110.99 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.114 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.647 HD23 ' HB3' ' A' ' 29' ' ' ARG . 1.9 tm? -67.69 -62.83 1.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.937 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.475 ' HG2' ' N ' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -146.51 147.97 31.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.516 HD12 HG23 ' A' ' 57' ' ' VAL . 9.3 mt -109.39 147.81 32.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -84.98 116.95 23.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.072 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.826 ' HA ' HD13 ' A' ' 50' ' ' ILE . 12.0 pt-20 -61.52 -25.96 67.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -116.31 26.8 9.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -110.13 172.52 15.75 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.502 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -32.13 19.37 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.671 2.247 . . . . 0.0 112.374 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 52' ' ' ASN . . . -58.71 -69.23 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.826 HD13 ' HA ' ' A' ' 45' ' ' GLU . 5.5 tt -44.75 -22.97 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.132 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 66.7 mtp85 -85.56 -33.21 21.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.849 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 49' ' ' ALA . 0.3 OUTLIER -56.32 -59.94 4.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 -179.895 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.501 ' O ' ' N ' ' A' ' 55' ' ' MET . . . 100.2 -53.21 0.95 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.503 ' O ' ' CE1' ' A' ' 13' ' ' PHE . 22.2 mmt85 -35.99 -30.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.82 0.343 . . . . 0.0 110.874 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.582 ' HB2' HD22 ' A' ' 92' ' ' LEU . 5.6 ptm -124.92 147.02 49.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.423 ' HD3' ' C ' ' A' ' 55' ' ' MET . 1.2 mpp_? -138.78 -179.06 5.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.516 HG23 HD12 ' A' ' 43' ' ' LEU . 98.8 t -85.94 121.24 37.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.117 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 115.07 -10.65 20.46 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.516 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.78 ' CB ' HD21 ' A' ' 92' ' ' LEU . 0.9 OUTLIER -74.62 166.21 23.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.736 0.303 . . . . 0.0 110.874 -179.919 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.502 ' NE2' ' O ' ' A' ' 61' ' ' ILE . 2.4 tm0? -113.54 115.54 28.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.532 ' HA ' HD12 ' A' ' 92' ' ' LEU . 6.5 mt -81.12 119.87 31.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.59 ' N ' HD13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -96.14 -28.1 3.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.873 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -134.07 155.08 50.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 30.3 mt -143.24 119.2 4.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.159 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.489 ' ND2' ' O ' ' A' ' 80' ' ' LEU . 29.8 m-20 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 5.3 mtm . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.819 0.342 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 46.0 p -101.24 152.41 20.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.423 ' CE1' ' HA ' ' A' ' 29' ' ' ARG . 18.5 t-160 -39.82 -37.61 0.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.94 -47.73 83.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.079 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.426 ' NH1' ' OE2' ' A' ' 79' ' ' GLU . 6.7 tpt180 -52.65 -64.6 0.77 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.836 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -46.78 -37.61 8.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 10.4 mm -64.81 -31.52 54.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.145 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.426 ' OE2' ' NH1' ' A' ' 76' ' ' ARG . 2.0 pt-20 -87.78 -23.43 24.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.489 ' O ' ' ND2' ' A' ' 65' ' ' ASN . 51.5 mt -69.11 -42.02 76.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.901 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.544 HD13 ' CZ ' ' A' ' 26' ' ' PHE . 21.7 mt -61.01 -32.46 52.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.078 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -97.57 -16.92 19.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 28.8 t -71.86 -36.86 70.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -68.45 -48.53 50.66 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.475 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 143.0 -129.35 3.74 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.473 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.466 ' O ' ' N ' ' A' ' 19' ' ' LYS . 38.7 mtt180 -94.52 -15.72 23.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.85 0.357 . . . . 0.0 110.895 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 32.6 mtt180 -113.36 124.14 51.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.637 HG22 HD23 ' A' ' 90' ' ' LEU . 11.6 p -122.42 147.06 26.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.099 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.549 HH21 HG21 ' A' ' 14' ' ' THR . 32.7 ttt180 -141.23 111.85 7.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.637 HD23 HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -125.66 147.93 49.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.539 HD23 ' N ' ' A' ' 92' ' ' LEU . 2.4 tt -85.66 120.77 27.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.78 HD21 ' CB ' ' A' ' 59' ' ' ASP . 7.0 tp . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.609 ' CE2' ' O ' ' A' ' 92' ' ' LEU . 6.1 p90 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.906 0.384 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 37.9 p -93.27 156.49 16.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.116 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.424 HG22 ' HE1' ' A' ' 13' ' ' PHE . 63.2 t -113.11 140.71 31.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -135.22 117.91 16.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.2 mtm -151.24 171.16 17.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -123.45 175.23 6.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.4 ' CB ' ' HG2' ' A' ' 86' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.916 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.649 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -153.11 136.23 15.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.871 0.367 . . . . 0.0 110.889 -179.829 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 27.2 t -110.55 172.22 6.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -136.2 170.31 18.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.498 ' HA ' ' CE1' ' A' ' 74' ' ' HIS . 3.1 ptp85 -149.14 169.7 20.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.99 -163.51 54.61 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.452 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 127.87 -179.99 16.17 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.508 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.431 ' NE ' ' HA ' ' A' ' 32' ' ' ARG . 3.9 mmp_? -60.67 -16.87 43.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.785 0.326 . . . . 0.0 110.86 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -71.62 -34.27 69.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -111.85 11.81 20.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.951 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm 55.95 49.68 15.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.878 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.3 ptm -152.49 163.18 40.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.523 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 17.9 m-20 -68.09 170.68 8.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.5 mt -95.24 117.29 30.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.579 ' CE2' ' HG2' ' A' ' 60' ' ' GLN . 1.7 m-85 -117.79 164.84 14.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 27.1 t -78.89 116.76 23.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.121 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.53 HD13 ' C ' ' A' ' 41' ' ' LEU . 1.8 tm? -69.13 -55.64 10.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.461 ' HG2' ' N ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -158.5 150.42 21.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.719 HD11 ' HA ' ' A' ' 56' ' ' ARG . 10.2 mt -104.1 151.28 23.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.428 ' HB3' ' HA3' ' A' ' 47' ' ' GLY . . . -86.99 112.97 22.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.099 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.865 ' HA ' HD13 ' A' ' 50' ' ' ILE . 11.5 pt-20 -58.43 -19.99 41.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -118.83 10.23 12.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.843 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.428 ' HA3' ' HB3' ' A' ' 44' ' ' ALA . . . -93.75 164.22 26.36 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.54 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -16.78 37.6 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.673 2.248 . . . . 0.0 112.339 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.86 -57.96 3.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.079 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.865 HD13 ' HA ' ' A' ' 45' ' ' GLU . 6.8 tt -54.7 -17.1 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -91.59 -21.17 20.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.847 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.439 ' ND2' ' H ' ' A' ' 55' ' ' MET . 0.5 OUTLIER -64.94 -55.65 17.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 96.64 -53.46 1.48 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.524 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.601 ' O ' ' CZ ' ' A' ' 13' ' ' PHE . 2.5 mmp_? -41.38 -29.72 0.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.835 0.35 . . . . 0.0 110.852 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.501 ' HB2' HD22 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -128.1 139.81 52.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.719 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -135.13 176.68 8.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -86.74 120.88 36.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.122 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 118.17 8.11 10.74 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.515 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.729 ' HB2' HD21 ' A' ' 92' ' ' LEU . 0.7 OUTLIER -97.54 -175.28 3.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.757 0.313 . . . . 0.0 110.884 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.579 ' HG2' ' CE2' ' A' ' 39' ' ' TYR . 1.3 tm0? -122.61 123.07 40.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.916 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.626 HG12 HD13 ' A' ' 92' ' ' LEU . 9.9 mt -93.95 121.45 44.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.514 ' N ' HD13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -102.86 -19.91 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.122 179.857 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.461 ' HG2' ' N ' ' A' ' 64' ' ' ILE . 27.4 tt0 -138.2 153.65 49.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.461 ' N ' ' HG2' ' A' ' 63' ' ' GLU . 85.0 mt -145.9 123.46 4.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.126 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' A' ' 80' ' ' LEU . 27.6 m-20 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 6.7 mtm . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.873 0.368 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 75' ' ' ALA . 22.3 p -103.24 145.9 29.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.167 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.498 ' CE1' ' HA ' ' A' ' 29' ' ' ARG . 13.2 t-160 -34.25 -33.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.823 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 73' ' ' THR . . . -64.54 -53.78 42.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.111 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.507 ' CZ ' HD21 ' A' ' 80' ' ' LEU . 9.0 tpt180 -47.36 -53.56 13.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.834 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -53.26 -48.21 68.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.088 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 3.2 mm -62.15 -17.99 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -93.96 -33.29 13.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.507 HD21 ' CZ ' ' A' ' 76' ' ' ARG . 28.7 mt -66.85 -38.39 86.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.927 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 22.6 mt -61.0 -32.3 52.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -97.16 -12.86 22.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 30.3 t -80.89 -31.54 35.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -72.74 -33.39 60.44 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.486 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 124.32 -128.86 6.95 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.485 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.4 ' HG2' ' CB ' ' A' ' 19' ' ' LYS . 9.3 mtt-85 -95.71 -18.45 20.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.837 0.351 . . . . 0.0 110.929 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 28.6 mtt180 -109.55 122.88 48.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.491 HG22 HD23 ' A' ' 90' ' ' LEU . 12.5 p -124.7 134.78 65.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.157 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -128.48 121.05 28.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.491 HD23 HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -133.33 147.29 51.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.963 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.42 HD23 ' N ' ' A' ' 92' ' ' LEU . 1.3 tt -84.29 110.48 18.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.729 HD21 ' HB2' ' A' ' 59' ' ' ASP . 7.9 tp . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.608 ' CD1' ' O ' ' A' ' 92' ' ' LEU . 16.8 p90 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.987 0.422 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 70.7 p -102.64 160.13 14.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.173 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.469 HG21 ' HB3' ' A' ' 55' ' ' MET . 61.3 t -117.03 146.2 21.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.129 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -135.94 114.82 12.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.1 mtm -149.09 162.61 39.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -116.31 175.25 5.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.938 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.384 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.643 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -153.17 140.22 19.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.872 0.368 . . . . 0.0 110.865 -179.846 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.0 t -115.46 170.44 8.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.411 HG22 ' CD1' ' A' ' 61' ' ' ILE . 0.4 OUTLIER -135.15 169.83 20.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.111 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.447 ' HB3' HD23 ' A' ' 41' ' ' LEU . 6.5 ptp180 -146.13 171.21 15.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 66.16 -172.56 25.75 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.446 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 138.61 175.08 13.75 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.505 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.447 ' NE ' ' HA ' ' A' ' 32' ' ' ARG . 2.3 mmp_? -56.67 -14.77 3.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.765 0.317 . . . . 0.0 110.876 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -75.57 -34.13 60.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -110.34 13.52 22.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.84 48.91 17.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.3 ptm -153.79 161.59 41.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.486 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . 2.1 m-20 -66.72 170.73 6.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.886 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.6 mt -98.19 117.92 33.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.601 ' CE2' ' HG2' ' A' ' 60' ' ' GLN . 2.5 m-85 -117.29 168.43 10.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.963 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 38.7 t -81.67 109.38 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.164 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.55 HD13 ' C ' ' A' ' 41' ' ' LEU . 1.3 tm? -61.26 -59.42 5.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.943 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.464 ' HG2' ' N ' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -157.55 151.01 23.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.592 HD11 ' HA ' ' A' ' 56' ' ' ARG . 12.2 mt -105.41 151.08 24.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.0 117.59 25.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.806 ' HA ' HD13 ' A' ' 50' ' ' ILE . 12.2 pt-20 -62.93 -19.42 64.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -118.57 22.0 12.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -109.41 168.57 13.33 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.469 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -26.17 27.76 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.729 2.286 . . . . 0.0 112.313 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.88 -64.8 0.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.11 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.806 HD13 ' HA ' ' A' ' 45' ' ' GLU . 7.0 tt -49.03 -23.99 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 67.5 mtp180 -82.48 -30.04 30.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -59.44 -60.4 3.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.517 ' O ' ' N ' ' A' ' 55' ' ' MET . . . 99.36 -53.7 1.01 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.494 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.455 ' O ' ' CZ ' ' A' ' 13' ' ' PHE . 60.2 mtt85 -34.32 -32.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.819 0.343 . . . . 0.0 110.872 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.548 ' HB2' HD22 ' A' ' 92' ' ' LEU . 9.9 ptm -128.77 144.46 51.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.592 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.6 OUTLIER -134.65 -174.27 3.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 99.2 t -86.47 140.49 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 96.1 -16.72 60.61 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.511 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.919 ' CB ' HD21 ' A' ' 92' ' ' LEU . 43.3 m-20 -63.12 -179.17 0.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.776 0.322 . . . . 0.0 110.859 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.601 ' HG2' ' CE2' ' A' ' 39' ' ' TYR . 2.1 tm0? -123.44 121.58 36.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.595 HG12 HD13 ' A' ' 92' ' ' LEU . 7.9 mt -96.6 130.18 45.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.124 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.731 ' N ' HD13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -115.47 -14.74 10.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.136 179.838 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -139.54 151.19 45.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.501 HD13 ' HB1' ' A' ' 77' ' ' ALA . 62.9 mt -148.04 110.65 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.147 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 35.7 m-20 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.959 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 4.2 mtm . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.838 0.351 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.2 p -91.45 158.11 16.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.402 ' O ' HG12 ' A' ' 78' ' ' ILE . 18.6 t-160 -48.5 -32.68 8.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.75 -50.04 68.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.098 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.482 ' NE ' HD21 ' A' ' 80' ' ' LEU . 8.0 tpt180 -53.33 -61.84 2.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.501 ' HB1' HD13 ' A' ' 64' ' ' ILE . . . -46.03 -29.81 1.61 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.087 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.402 HG12 ' O ' ' A' ' 74' ' ' HIS . 4.6 mm -77.01 -30.99 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.152 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 76' ' ' ARG . 3.3 pt-20 -84.94 -23.13 28.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.482 HD21 ' NE ' ' A' ' 76' ' ' ARG . 64.2 mt -71.4 -41.3 69.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 16.1 mt -59.86 -31.1 46.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 11.4 ptpt -97.16 -14.54 21.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 31.7 t -82.07 -31.88 30.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -70.19 -41.18 70.2 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.512 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 133.8 -128.09 4.84 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.471 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.9 mtm-85 -97.87 -21.72 16.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.79 0.328 . . . . 0.0 110.886 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 53.3 mtm180 -109.5 122.8 48.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.617 HG22 HD23 ' A' ' 90' ' ' LEU . 10.4 p -123.78 143.81 35.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.148 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.409 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 21.9 ttm180 -135.95 115.25 12.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.617 HD23 HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -125.97 149.84 48.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.492 HD22 ' CG1' ' A' ' 62' ' ' ILE . 3.3 tt -86.94 112.73 22.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.933 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.919 HD21 ' CB ' ' A' ' 59' ' ' ASP . 11.9 tp . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.947 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.619 ' CD2' ' O ' ' A' ' 92' ' ' LEU . 17.5 p90 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.92 0.391 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 57.5 p -101.1 154.6 18.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.134 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.473 HG21 ' HB3' ' A' ' 55' ' ' MET . 69.0 t -109.0 143.39 19.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.152 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -136.18 106.18 6.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.442 ' HG3' HG12 ' A' ' 15' ' ' VAL . 3.2 mtm -141.95 179.79 6.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -123.51 169.73 11.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 86' ' ' ARG . 8.3 ttmm . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.658 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -153.2 139.4 18.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.861 0.362 . . . . 0.0 110.894 -179.856 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.489 ' HB3' ' CD ' ' A' ' 42' ' ' ARG . 47.7 t -114.9 170.27 8.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.887 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -132.64 169.95 20.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.155 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.44 ' HB3' HD23 ' A' ' 41' ' ' LEU . 1.7 ptp180 -149.33 170.91 17.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 69.38 -163.67 51.15 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.472 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 127.25 163.22 11.38 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.458 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.422 ' NE ' ' HA ' ' A' ' 32' ' ' ARG . 4.0 mmp_? -43.93 -27.44 0.36 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.789 0.328 . . . . 0.0 110.879 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.463 ' CD ' ' O ' ' A' ' 33' ' ' GLU . 0.4 OUTLIER -60.19 -41.59 93.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.917 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.46 ' CD1' ' OE1' ' A' ' 33' ' ' GLU . 6.0 m-85 -104.87 15.94 26.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.959 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 45.1 mmtt 55.2 46.9 22.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.894 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.5 ptm -152.4 160.09 43.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.489 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 0.8 OUTLIER -65.92 170.8 5.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.4 mt -96.13 119.2 34.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.581 ' CE2' ' HG2' ' A' ' 60' ' ' GLN . 2.0 m-85 -115.9 167.26 11.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 20.4 t -85.4 100.97 9.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.131 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.494 HD13 ' C ' ' A' ' 41' ' ' LEU . 1.1 tm? -46.88 -61.33 1.91 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.944 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.489 ' CD ' ' HB3' ' A' ' 27' ' ' SER . 0.0 OUTLIER -156.52 166.11 34.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.755 HD11 ' HA ' ' A' ' 56' ' ' ARG . 10.7 mt -115.78 150.2 37.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.956 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -88.22 115.76 25.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.094 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.87 ' HA ' HD13 ' A' ' 50' ' ' ILE . 1.9 pp20? -55.63 -28.35 54.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.428 ' O ' ' CG ' ' A' ' 46' ' ' ASP . 26.2 t70 -114.13 27.66 9.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -109.45 169.87 14.05 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.487 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -25.79 28.14 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.685 2.256 . . . . 0.0 112.337 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 52' ' ' ASN . . . -66.45 -67.46 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.117 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.87 HD13 ' HA ' ' A' ' 45' ' ' GLU . 6.6 tt -46.45 -23.52 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.071 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 56.5 mtp180 -87.38 -29.65 21.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 49' ' ' ALA . 0.3 OUTLIER -60.57 -60.28 4.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.501 ' O ' ' N ' ' A' ' 55' ' ' MET . . . 100.63 -54.07 0.87 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.482 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.565 ' O ' ' CE1' ' A' ' 13' ' ' PHE . 57.3 mtt-85 -35.2 -31.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.792 0.329 . . . . 0.0 110.837 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.501 ' N ' ' O ' ' A' ' 53' ' ' GLY . 4.8 ptm -132.88 145.19 50.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.755 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -141.15 164.34 30.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.908 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.432 HG12 ' H ' ' A' ' 57' ' ' VAL . 0.2 OUTLIER -69.34 133.66 31.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.128 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 105.38 12.41 27.01 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.479 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.778 ' CB ' HD21 ' A' ' 92' ' ' LEU . 1.1 m-20 -102.56 179.94 4.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.756 0.312 . . . . 0.0 110.873 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.581 ' HG2' ' CE2' ' A' ' 39' ' ' TYR . 0.9 OUTLIER -122.22 119.88 32.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.645 HG12 HD13 ' A' ' 92' ' ' LEU . 9.7 mt -93.88 123.99 46.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.136 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.621 ' N ' HD13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -101.1 -26.35 3.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 179.847 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -134.96 156.57 48.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 82.4 mt -146.74 130.12 9.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.135 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.492 ' ND2' ' O ' ' A' ' 80' ' ' LEU . 2.0 m-20 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 5.2 mtm . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.859 0.361 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.485 ' O ' ' N ' ' A' ' 75' ' ' ALA . 17.2 p -100.81 148.71 24.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.441 ' C ' ' O ' ' A' ' 73' ' ' THR . 15.4 t-160 -34.65 -33.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 73' ' ' THR . . . -64.68 -54.25 34.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 73' ' ' THR . 8.9 tpp180 -48.93 -52.14 26.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.55 -46.71 66.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.071 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.447 HG22 ' O ' ' A' ' 78' ' ' ILE . 3.1 mm -63.7 -12.45 11.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.093 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 83' ' ' SER . 0.8 OUTLIER -95.43 -41.67 8.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.492 ' O ' ' ND2' ' A' ' 65' ' ' ASN . 61.4 mt -59.84 -37.7 79.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 23.4 mt -61.46 -34.21 60.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 5.1 ptpt -97.55 -17.71 19.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.956 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 79' ' ' GLU . 1.6 m -84.33 -13.47 52.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -86.39 -34.08 12.8 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.464 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 123.92 -141.23 13.35 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.492 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 19' ' ' LYS . 21.0 mtt180 -85.63 -21.31 28.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.781 0.324 . . . . 0.0 110.87 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -113.13 126.55 55.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.517 HG22 HD23 ' A' ' 90' ' ' LEU . 14.8 p -122.97 149.47 26.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.414 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 14.4 ttm180 -141.38 124.67 16.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.517 HD23 HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -137.17 148.46 46.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.516 HD23 ' N ' ' A' ' 92' ' ' LEU . 2.6 tt -83.39 117.08 22.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.924 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.778 HD21 ' CB ' ' A' ' 59' ' ' ASP . 7.7 tp . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.537 ' CD1' ' O ' ' A' ' 92' ' ' LEU . 50.8 p90 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.936 0.398 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 57.4 p -105.48 158.38 16.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.159 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 58.8 t -118.41 142.5 32.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -135.55 113.09 10.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.5 mtm -149.59 174.19 12.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -119.3 175.11 5.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 86' ' ' ARG . 21.2 ttmt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.651 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -152.7 138.94 18.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.853 0.359 . . . . 0.0 110.864 -179.832 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.0 t -113.17 172.13 7.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -135.61 170.62 18.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.096 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.607 ' HB3' HD23 ' A' ' 41' ' ' LEU . 9.3 ptt180 -150.9 169.21 22.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.904 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.21 -171.3 55.12 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.496 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 131.65 172.72 13.15 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.456 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -53.8 -22.4 9.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.756 0.312 . . . . 0.0 110.869 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -65.42 -35.68 81.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -109.37 3.76 21.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.938 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm 63.7 44.57 4.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.885 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.1 ptm -148.04 162.89 38.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.6 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 2.2 m-20 -67.26 171.02 6.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.0 mt -95.68 119.79 34.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.941 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.6 ' CE1' ' O ' ' A' ' 37' ' ' ASP . 0.5 OUTLIER -121.92 166.22 14.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.936 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 26.2 t -81.21 108.43 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.123 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.607 HD23 ' HB3' ' A' ' 29' ' ' ARG . 0.7 OUTLIER -57.74 -58.04 10.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.477 ' HG2' ' N ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -159.44 149.98 19.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.625 HD11 ' HA ' ' A' ' 56' ' ' ARG . 11.7 mt -103.0 151.24 22.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.956 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -86.36 117.81 25.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.764 ' HA ' HD13 ' A' ' 50' ' ' ILE . 13.0 pt-20 -59.56 -19.58 49.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -121.58 26.65 8.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -107.11 166.19 13.36 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.457 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -24.08 29.97 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.681 2.254 . . . . 0.0 112.359 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.59 -60.36 2.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.124 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.764 HD13 ' HA ' ' A' ' 45' ' ' GLU . 4.1 tt -52.1 -18.65 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 63.2 mtp85 -87.31 -25.58 23.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -64.57 -59.58 4.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.498 ' O ' ' CD ' ' A' ' 56' ' ' ARG . . . 102.69 -54.81 0.71 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.51 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.433 ' O ' ' CE2' ' A' ' 13' ' ' PHE . 54.1 mtt-85 -37.86 -34.56 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.821 0.343 . . . . 0.0 110.877 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 3.6 ptm -121.91 137.97 54.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.625 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -132.2 176.4 8.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.843 -179.904 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.407 HG12 HD12 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -85.77 123.47 39.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.148 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 117.37 -0.99 18.75 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.859 ' HB2' HD21 ' A' ' 92' ' ' LEU . 1.2 m-20 -88.68 170.26 10.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.78 0.324 . . . . 0.0 110.903 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.495 ' NE2' ' O ' ' A' ' 61' ' ' ILE . 9.2 tm0? -112.25 120.9 43.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.604 HG12 HD13 ' A' ' 92' ' ' LEU . 19.5 mt -89.72 129.83 40.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.465 ' N ' HD13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -112.81 -14.51 10.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.144 179.855 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.469 ' HB3' ' CB ' ' A' ' 91' ' ' LEU . 29.8 tt0 -140.34 158.22 44.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 85.7 mt -146.21 134.3 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.134 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.502 ' ND2' ' O ' ' A' ' 80' ' ' LEU . 31.2 m-20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 5.6 mtm . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.835 0.35 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 75' ' ' ALA . 81.9 p -92.37 147.5 22.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.172 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 18.8 t-160 -38.66 -27.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.864 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 73' ' ' THR . . . -69.38 -52.57 25.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -47.24 -51.73 17.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.06 -45.76 75.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.557 ' HA ' HD12 ' A' ' 81' ' ' ILE . 3.1 mm -64.6 -12.92 13.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -91.92 -42.06 10.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.502 ' O ' ' ND2' ' A' ' 65' ' ' ASN . 75.7 mt -62.67 -40.77 98.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.942 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.557 HD12 ' HA ' ' A' ' 78' ' ' ILE . 23.8 mt -55.85 -34.37 37.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -97.62 -16.59 19.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 179.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.3 t -77.36 -32.13 54.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -68.76 -40.77 85.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.496 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 127.71 -142.97 13.98 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.474 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.495 ' O ' ' N ' ' A' ' 19' ' ' LYS . 47.4 mtt180 -79.02 -18.78 52.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.853 0.358 . . . . 0.0 110.862 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 -115.08 128.03 55.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.543 HG22 HD23 ' A' ' 90' ' ' LEU . 13.7 p -124.28 146.93 29.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.466 ' O ' ' N ' ' A' ' 65' ' ' ASN . 12.5 ttm180 -141.29 121.89 14.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.543 HD23 HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -134.1 148.34 50.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.52 ' C ' HD23 ' A' ' 91' ' ' LEU . 4.0 tt -84.97 107.03 16.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.859 HD21 ' HB2' ' A' ' 59' ' ' ASP . 8.0 tp . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.608 ' CD1' ' O ' ' A' ' 92' ' ' LEU . 19.7 p90 . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.874 0.369 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 41.3 p -99.37 158.74 15.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.12 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 97.8 t -118.7 142.26 34.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -135.52 119.4 17.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.83 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.2 mtm -153.54 170.54 20.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.824 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -115.18 173.96 6.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.513 ' N ' ' O ' ' A' ' 86' ' ' ARG . 6.9 ttpp . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.923 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.662 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -153.29 132.34 12.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.352 . . . . 0.0 110.878 -179.841 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.9 t -110.28 165.86 11.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -128.66 170.1 18.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.513 ' HB3' HD23 ' A' ' 41' ' ' LEU . 7.5 ptp85 -147.69 167.95 23.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.81 -169.09 54.94 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.476 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 131.35 164.57 11.21 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.468 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.0 mmm180 -48.2 -24.39 1.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.803 0.335 . . . . 0.0 110.855 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -65.98 -37.48 86.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -107.23 13.97 26.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm 53.9 50.43 16.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.913 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.4 ptm -154.94 162.84 40.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.81 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.59 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 0.2 OUTLIER -70.88 169.44 14.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 179.931 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.6 mt -93.19 120.7 33.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.59 ' CE1' ' O ' ' A' ' 37' ' ' ASP . 1.2 m-85 -124.34 166.97 15.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 48.2 t -79.83 113.66 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.108 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.538 HD13 ' C ' ' A' ' 41' ' ' LEU . 1.7 tm? -67.01 -55.81 12.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.464 ' HG2' ' N ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -158.37 150.35 21.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.614 HD11 ' HA ' ' A' ' 56' ' ' ARG . 11.5 mt -104.07 150.99 23.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -88.72 115.55 26.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.824 ' HA ' HD13 ' A' ' 50' ' ' ILE . 5.1 pt-20 -59.32 -24.35 63.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -119.17 32.86 5.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -117.21 169.77 13.24 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -22.26 32.56 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.661 2.241 . . . . 0.0 112.328 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.417 ' CB ' ' HB3' ' A' ' 26' ' ' PHE . . . -68.99 -66.11 0.62 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.058 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.824 HD13 ' HA ' ' A' ' 45' ' ' GLU . 6.4 tt -48.83 -23.93 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.119 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 47.6 mtp180 -81.9 -29.62 32.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.402 ' ND2' ' H ' ' A' ' 55' ' ' MET . 0.4 OUTLIER -59.99 -55.2 36.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 55' ' ' MET . . . 93.2 -52.6 2.48 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.503 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.454 ' O ' ' CE2' ' A' ' 13' ' ' PHE . 21.2 mmt180 -38.93 -28.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.805 0.336 . . . . 0.0 110.836 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.532 ' HB2' HD22 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -127.81 142.09 51.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.614 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -140.13 -175.73 4.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.9 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 57.9 t -83.64 140.35 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.061 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 97.36 14.53 41.21 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.44 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.72 ' HB2' HD21 ' A' ' 92' ' ' LEU . 14.8 m-20 -103.62 173.29 6.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.757 0.313 . . . . 0.0 110.871 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.501 ' NE2' ' O ' ' A' ' 61' ' ' ILE . 7.3 tm0? -122.86 119.88 31.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.948 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.54 HG12 HD13 ' A' ' 92' ' ' LEU . 8.7 mt -87.16 125.28 40.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.674 ' N ' HD13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -102.02 -38.37 5.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.177 179.848 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -124.65 157.21 36.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 93.7 mt -137.07 134.92 47.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.133 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 80' ' ' LEU . 29.0 m-20 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.9 mtm . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.828 0.347 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 75' ' ' ALA . 45.1 p -108.57 147.87 31.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.147 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.443 ' CE1' ' HA ' ' A' ' 29' ' ' ARG . 13.7 t-160 -36.17 -31.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 73' ' ' THR . . . -67.18 -49.26 65.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 73' ' ' THR . 5.8 tpt180 -51.16 -52.15 46.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.921 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.14 -50.11 67.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.417 ' HA ' HD12 ' A' ' 81' ' ' ILE . 3.0 mm -59.41 -15.9 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.15 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 83' ' ' SER . 0.6 OUTLIER -90.77 -42.63 10.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.45 ' O ' ' ND2' ' A' ' 65' ' ' ASN . 78.2 mt -60.62 -38.44 84.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.417 HD12 ' HA ' ' A' ' 78' ' ' ILE . 25.1 mt -61.16 -33.38 55.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.161 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -97.83 -18.69 18.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 79' ' ' GLU . 33.9 t -74.74 -34.13 62.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -69.72 -41.39 74.5 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.484 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 127.73 -138.88 10.73 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.542 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.513 ' O ' ' N ' ' A' ' 19' ' ' LYS . 28.0 mtt180 -82.86 -23.42 33.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.852 0.358 . . . . 0.0 110.914 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 46.7 mtp180 -109.74 123.09 48.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.612 HG22 HD23 ' A' ' 90' ' ' LEU . 12.9 p -123.6 148.73 27.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.426 ' O ' ' N ' ' A' ' 65' ' ' ASN . 14.1 ttm180 -140.91 113.74 8.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.849 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.612 HD23 HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -127.77 148.16 50.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.912 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.476 HD22 ' CG1' ' A' ' 62' ' ' ILE . 2.7 tt -85.41 112.01 20.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.72 HD21 ' HB2' ' A' ' 59' ' ' ASP . 8.9 tp . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.608 ' CD2' ' O ' ' A' ' 92' ' ' LEU . 26.6 p90 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.952 0.405 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 76.5 p -97.0 164.29 12.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.125 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.404 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 35.3 t -123.85 146.13 29.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -135.75 117.44 14.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.7 mtm -149.42 176.98 10.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -121.43 169.56 10.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 86' ' ' ARG . 7.3 ttmm . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.942 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.656 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -153.28 143.63 22.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.825 0.345 . . . . 0.0 110.91 -179.889 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.7 t -122.18 162.44 21.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -122.8 169.72 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.154 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.487 ' HA ' ' CE1' ' A' ' 74' ' ' HIS . 3.6 ptp180 -147.6 160.16 42.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 82.97 -161.88 40.25 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.424 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 124.7 179.17 15.62 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.514 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -58.74 -20.92 53.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.797 0.332 . . . . 0.0 110.862 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -67.84 -34.85 77.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -111.71 11.25 21.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 56.42 49.12 15.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.91 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.6 ptm -153.46 159.99 42.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.457 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 62.9 m-20 -65.38 169.7 5.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.2 mt -94.35 116.67 29.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.457 ' CE1' ' O ' ' A' ' 37' ' ' ASP . 2.9 m-85 -113.62 165.18 12.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.8 t -81.19 95.94 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.622 HD13 ' C ' ' A' ' 41' ' ' LEU . 2.0 tm? -45.49 -62.62 1.2 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.955 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.484 ' HD2' ' N ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -153.83 175.68 13.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 179.892 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.484 ' N ' ' HD2' ' A' ' 42' ' ' ARG . 12.8 mt -127.34 150.51 49.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.01 120.6 28.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.049 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.759 ' HA ' HD13 ' A' ' 50' ' ' ILE . 14.6 pt-20 -59.64 -26.54 65.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -116.39 31.33 6.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.843 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -112.66 169.06 12.83 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.478 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -25.9 28.15 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.695 2.263 . . . . 0.0 112.375 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 52' ' ' ASN . . . -65.93 -67.05 0.47 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.759 HD13 ' HA ' ' A' ' 45' ' ' GLU . 6.6 tt -46.13 -23.08 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.162 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -85.83 -31.29 22.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 49' ' ' ALA . 0.3 OUTLIER -58.98 -60.49 3.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.502 ' O ' ' N ' ' A' ' 55' ' ' MET . . . 100.61 -54.03 0.88 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.433 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.467 ' C ' ' O ' ' A' ' 53' ' ' GLY . 10.2 mmp_? -32.17 -36.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.784 0.326 . . . . 0.0 110.809 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.502 ' N ' ' O ' ' A' ' 53' ' ' GLY . 6.1 ptm -123.35 144.41 49.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.408 ' CD ' ' O ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -138.13 -178.98 5.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 -179.891 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 92.9 t -79.91 130.99 35.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.135 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 100.45 30.66 6.13 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.454 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.854 ' CB ' HD21 ' A' ' 92' ' ' LEU . 4.5 m-20 -115.62 173.62 6.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.729 0.3 . . . . 0.0 110.851 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.487 ' NE2' ' O ' ' A' ' 61' ' ' ILE . 1.1 tm0? -121.56 117.29 26.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.55 HG12 HD13 ' A' ' 92' ' ' LEU . 13.8 mt -86.97 120.51 36.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.604 ' N ' HD13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -98.32 -30.49 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.1 179.88 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -129.74 148.42 51.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 57.8 mt -139.84 109.16 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.155 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 80' ' ' LEU . 30.0 m-20 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 9.5 mtm . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.908 0.385 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.456 ' O ' ' C ' ' A' ' 74' ' ' HIS . 25.3 p -98.95 143.73 28.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.487 ' CE1' ' HA ' ' A' ' 29' ' ' ARG . 11.3 t-160 -33.89 -36.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 73' ' ' THR . . . -63.99 -52.56 59.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.083 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 73' ' ' THR . 10.5 tpt180 -48.44 -48.51 37.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.88 -48.84 77.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.458 ' HA ' HD12 ' A' ' 81' ' ' ILE . 3.4 mm -61.56 -13.05 7.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.155 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -92.02 -41.07 10.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.497 ' O ' ' ND2' ' A' ' 65' ' ' ASN . 82.5 mt -63.83 -40.69 97.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.458 HD12 ' HA ' ' A' ' 78' ' ' ILE . 39.9 mt -54.71 -35.42 32.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.104 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -97.99 -14.73 20.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.0 t -73.92 -33.62 64.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.812 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -69.59 -36.63 76.67 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.514 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 129.7 -131.66 6.75 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.504 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 19' ' ' LYS . 24.8 mtt180 -91.16 -17.49 26.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.806 0.336 . . . . 0.0 110.877 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 34.2 mtm180 -116.89 124.94 50.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.618 HG22 HD23 ' A' ' 90' ' ' LEU . 12.1 p -119.92 144.58 28.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.404 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 30.8 ttt180 -135.06 111.75 10.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.618 HD23 HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -123.99 148.51 46.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.464 HD23 ' N ' ' A' ' 92' ' ' LEU . 3.4 tt -86.8 116.97 25.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.854 HD21 ' CB ' ' A' ' 59' ' ' ASP . 7.0 tp . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.577 ' CE1' ' O ' ' A' ' 54' ' ' ARG . 11.8 p90 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.958 0.409 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -91.18 165.58 13.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.158 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.469 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 37.6 t -136.07 138.1 47.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.143 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -136.25 121.18 18.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.41 ' SD ' ' HA ' ' A' ' 49' ' ' ALA . 3.7 mtm -148.3 167.58 24.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -106.93 173.31 6.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.822 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.0 ttmt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 179.984 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.65 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -153.02 143.44 22.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.871 0.367 . . . . 0.0 110.903 -179.883 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.458 ' HB3' ' CD ' ' A' ' 42' ' ' ARG . 38.0 t -118.99 172.03 7.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -179.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.502 HG22 HD12 ' A' ' 61' ' ' ILE . 0.5 OUTLIER -133.5 169.22 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.139 179.904 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.62 ' HB3' HD23 ' A' ' 41' ' ' LEU . 4.8 ptp180 -151.36 169.54 21.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.14 -176.71 46.62 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.496 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 134.97 175.88 14.08 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.533 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 -54.3 -24.57 19.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.786 0.327 . . . . 0.0 110.91 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -66.0 -36.59 83.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -109.44 14.15 23.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.957 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 51.94 48.88 21.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.906 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.8 ptm -151.95 166.19 32.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.551 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 0.8 OUTLIER -70.62 171.43 10.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.4 mt -95.79 128.68 42.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.603 ' CE2' ' HG3' ' A' ' 60' ' ' GLN . 1.6 m-85 -129.38 167.91 17.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.471 ' O ' HG13 ' A' ' 57' ' ' VAL . 90.4 t -85.32 98.85 6.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.171 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.62 HD23 ' HB3' ' A' ' 29' ' ' ARG . 0.4 OUTLIER -43.41 -64.57 0.62 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.458 ' CD ' ' HB3' ' A' ' 27' ' ' SER . 0.0 OUTLIER -155.23 165.9 35.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.645 HD21 ' SD ' ' A' ' 55' ' ' MET . 12.2 mt -115.0 150.86 35.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.31 118.45 28.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.831 ' HA ' HD13 ' A' ' 50' ' ' ILE . 14.1 pt-20 -57.76 -29.47 64.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.904 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -113.56 30.09 7.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -113.38 166.58 12.16 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.456 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -24.92 28.88 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.679 2.253 . . . . 0.0 112.316 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.475 ' CB ' ' HB3' ' A' ' 26' ' ' PHE . . . -66.9 -58.4 5.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.831 HD13 ' HA ' ' A' ' 45' ' ' GLU . 8.2 tt -56.12 -14.34 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 40.5 mtp180 -93.61 -19.67 20.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.512 ' ND2' ' H ' ' A' ' 55' ' ' MET . 0.7 OUTLIER -67.39 -54.5 19.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.443 ' O ' ' CD ' ' A' ' 56' ' ' ARG . . . 94.95 -52.63 1.92 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.484 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.577 ' O ' ' CE1' ' A' ' 13' ' ' PHE . 17.9 mmt180 -45.34 -27.76 0.73 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.861 0.363 . . . . 0.0 110.909 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.645 ' SD ' HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -120.87 139.68 52.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 179.93 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.575 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -137.43 -175.23 3.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.859 -179.917 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.471 HG13 ' O ' ' A' ' 40' ' ' VAL . 61.5 t -93.52 111.32 24.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 135.23 -19.76 3.83 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.498 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.604 ' HB2' HD21 ' A' ' 92' ' ' LEU . 1.5 m-20 -74.05 176.68 6.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.792 0.329 . . . . 0.0 110.828 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.603 ' HG3' ' CE2' ' A' ' 39' ' ' TYR . 2.7 tt0 -121.17 120.73 36.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.899 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.502 HD12 HG22 ' A' ' 28' ' ' ILE . 17.1 mt -82.75 117.08 28.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.139 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.522 HD13 ' O ' ' A' ' 60' ' ' GLN . 0.0 OUTLIER -103.14 -20.61 5.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 179.861 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -132.31 150.07 52.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.445 ' O ' ' C ' ' A' ' 65' ' ' ASN . 97.1 mt -141.75 127.27 18.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.124 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.554 ' ND2' HG23 ' A' ' 88' ' ' VAL . 22.6 m-20 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 6.3 mtm . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.855 0.359 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 76' ' ' ARG . 79.6 p -106.49 145.38 31.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.167 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.439 ' C ' ' O ' ' A' ' 73' ' ' THR . 20.9 t-160 -35.37 -35.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 73' ' ' THR . . . -59.67 -47.89 83.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.111 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.517 ' NE ' HD21 ' A' ' 80' ' ' LEU . 9.2 tpt180 -55.5 -62.33 1.75 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -46.95 -28.62 1.68 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.074 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 5.9 mm -78.56 -30.99 15.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -85.6 -23.15 27.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.517 HD21 ' NE ' ' A' ' 76' ' ' ARG . 32.0 mt -70.42 -40.12 74.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.943 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 17.2 mt -62.0 -30.59 48.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.18 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.0 ptpt -97.06 -14.52 21.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 26.4 t -78.63 -31.58 47.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.832 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -69.39 -40.5 79.88 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.463 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 127.97 -132.77 7.53 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.505 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 30.7 mtt85 -87.91 -16.84 32.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.855 0.36 . . . . 0.0 110.927 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 25.6 mtm-85 -115.59 127.14 55.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.582 HG22 HD23 ' A' ' 90' ' ' LEU . 12.4 p -125.08 144.2 35.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.124 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.545 ' O ' ' N ' ' A' ' 65' ' ' ASN . 62.1 mtt85 -137.69 123.82 20.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.582 HD23 HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -138.56 148.62 44.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.576 ' C ' HD23 ' A' ' 91' ' ' LEU . 1.8 tt -88.83 109.98 20.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.604 HD21 ' HB2' ' A' ' 59' ' ' ASP . 9.2 tp . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.936 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.596 ' CE1' ' O ' ' A' ' 54' ' ' ARG . 9.1 p90 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.909 0.385 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 69.8 p -91.86 163.4 14.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.143 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 62.8 t -122.1 141.91 40.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.144 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -135.57 112.68 10.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.6 mtm -146.39 -179.99 7.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -125.06 175.33 7.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.891 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.422 ' NZ ' ' HA ' ' A' ' 82' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.925 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.511 -0.235 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.666 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -153.61 137.28 16.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.834 0.35 . . . . 0.0 110.844 -179.855 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.4 t -117.5 161.53 19.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -122.15 170.43 12.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.162 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -146.49 161.29 40.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.92 -164.85 50.52 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.449 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 131.1 179.43 16.11 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.5 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -61.48 -21.47 64.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.78 0.324 . . . . 0.0 110.9 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -67.78 -33.24 74.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -110.62 7.37 22.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.896 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 60.34 49.14 7.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.2 ptm -153.8 160.72 42.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.533 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 0.7 OUTLIER -67.13 171.51 5.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.408 ' HA ' ' O ' ' A' ' 29' ' ' ARG . 9.1 mt -94.95 120.52 35.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.533 ' CE1' ' O ' ' A' ' 37' ' ' ASP . 1.8 m-85 -121.34 158.99 27.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.945 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.4 t -71.96 108.98 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.138 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.574 HD13 ' C ' ' A' ' 41' ' ' LEU . 2.0 tm? -63.06 -57.86 9.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.499 ' HG2' ' N ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -156.17 154.67 31.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.499 ' N ' ' HG2' ' A' ' 42' ' ' ARG . 9.7 mt -113.32 139.47 48.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.75 113.99 19.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.076 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.844 ' HA ' HD13 ' A' ' 50' ' ' ILE . 11.5 pt-20 -59.91 -18.85 47.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -115.57 21.02 14.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.83 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -106.92 168.53 14.41 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.493 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -17.58 37.38 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.714 2.276 . . . . 0.0 112.319 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 52' ' ' ASN . . . -71.25 -69.46 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.105 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.844 HD13 ' HA ' ' A' ' 45' ' ' GLU . 4.9 tt -43.58 -25.67 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 53.2 mtp180 -78.65 -36.71 43.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 49' ' ' ALA . 0.2 OUTLIER -57.77 -60.5 3.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.502 ' O ' ' N ' ' A' ' 55' ' ' MET . . . 100.83 -52.46 0.92 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.457 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.596 ' O ' ' CE1' ' A' ' 13' ' ' PHE . 37.3 mmt-85 -34.3 -32.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.803 0.335 . . . . 0.0 110.86 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.502 ' N ' ' O ' ' A' ' 53' ' ' GLY . 13.7 ptm -122.67 146.51 47.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.69 -175.45 3.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.454 ' CG2' ' HB2' ' A' ' 43' ' ' LEU . 82.1 t -86.65 146.12 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.107 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 77.62 28.95 56.37 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.477 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.69 ' CB ' HD21 ' A' ' 92' ' ' LEU . 2.2 t0 -105.53 166.04 10.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.768 0.318 . . . . 0.0 110.863 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.492 ' NE2' ' O ' ' A' ' 61' ' ' ILE . 1.5 tm0? -109.58 113.21 25.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.564 HG12 HD13 ' A' ' 92' ' ' LEU . 43.7 mt -85.45 126.97 40.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.656 ' N ' HD13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -104.58 -24.93 3.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 179.9 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.501 ' HB3' ' CB ' ' A' ' 91' ' ' LEU . 28.3 tt0 -132.29 150.88 52.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.437 ' N ' ' HG2' ' A' ' 63' ' ' GLU . 96.6 mt -146.18 105.16 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 80' ' ' LEU . 26.6 m-20 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.4 mtm . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.804 0.335 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 41.4 p -95.45 151.22 19.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.15 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 14.4 t-160 -39.11 -39.26 0.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.24 -53.86 52.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.083 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -47.97 -54.32 13.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.76 -44.78 66.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.122 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.405 HG22 ' O ' ' A' ' 78' ' ' ILE . 2.9 mm -67.38 -14.57 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -94.85 -32.95 13.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.496 ' O ' ' ND2' ' A' ' 65' ' ' ASN . 26.7 mt -68.62 -41.47 79.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.966 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 28.5 mt -56.77 -35.0 44.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.109 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.422 ' HA ' ' NZ ' ' A' ' 19' ' ' LYS . 2.3 ptpt -97.17 -13.58 22.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.9 t -73.18 -36.28 66.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.822 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -70.85 -36.29 65.79 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.526 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.417 ' O ' ' NZ ' ' A' ' 19' ' ' LYS . . . 132.02 -129.51 5.62 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.485 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 12.3 mtm180 -94.83 -19.27 20.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.864 0.364 . . . . 0.0 110.909 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 39.5 mtp180 -109.56 123.41 49.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.614 HG22 HD23 ' A' ' 90' ' ' LEU . 13.0 p -122.78 148.85 26.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.137 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.407 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 12.7 ttt180 -141.02 115.17 9.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.846 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.614 HD23 HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -128.83 147.15 50.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.504 HD23 ' N ' ' A' ' 92' ' ' LEU . 3.8 tt -86.25 115.35 23.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.69 HD21 ' CB ' ' A' ' 59' ' ' ASP . 8.4 tp . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.598 ' CD2' ' O ' ' A' ' 92' ' ' LEU . 17.7 p90 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.922 0.392 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.407 HG21 HH21 ' A' ' 89' ' ' ARG . 46.2 p -98.9 155.29 17.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.109 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 72.6 t -113.59 143.79 22.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -136.12 113.81 11.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.829 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.3 mtm -148.9 175.57 11.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -120.63 174.91 6.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.502 ' N ' ' O ' ' A' ' 86' ' ' ARG . 21.1 ttmt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.647 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -153.05 140.18 19.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.829 0.347 . . . . 0.0 110.867 -179.831 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.418 ' HB3' ' HB3' ' A' ' 41' ' ' LEU . 1.2 t -116.72 166.68 11.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -128.7 170.35 18.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.086 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.542 ' HA ' ' CE1' ' A' ' 74' ' ' HIS . 10.4 ptt180 -150.84 169.29 22.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.825 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.96 -163.15 54.94 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.441 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 126.08 165.21 11.97 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.466 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -43.26 -34.6 1.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.761 0.315 . . . . 0.0 110.882 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -54.36 -41.01 68.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.927 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -106.1 19.75 20.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.922 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.9 mmtp 49.16 50.29 18.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 4.0 ptm -154.81 159.77 40.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.476 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 2.1 m-20 -66.69 171.31 5.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.408 HD13 ' CD1' ' A' ' 64' ' ' ILE . 6.3 mt -95.93 117.94 31.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.476 ' CE1' ' O ' ' A' ' 37' ' ' ASP . 1.2 m-85 -118.37 165.96 13.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.909 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.512 HG12 HG23 ' A' ' 57' ' ' VAL . 99.0 t -81.23 111.48 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.123 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.486 HD13 ' C ' ' A' ' 41' ' ' LEU . 1.8 tm? -62.15 -55.83 24.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.509 ' HA ' HG21 ' A' ' 57' ' ' VAL . 0.1 OUTLIER -155.7 152.22 28.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.478 HD11 ' HA ' ' A' ' 56' ' ' ARG . 7.6 mt -110.25 140.56 44.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -78.09 119.31 21.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.051 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.841 ' HA ' HD13 ' A' ' 50' ' ' ILE . 6.2 pt-20 -63.55 -23.5 67.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -116.51 25.66 10.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -106.73 170.78 16.41 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.426 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -28.25 25.65 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.674 2.25 . . . . 0.0 112.361 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 52' ' ' ASN . . . -63.81 -68.61 0.33 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.089 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.841 HD13 ' HA ' ' A' ' 45' ' ' GLU . 6.0 tt -44.33 -25.05 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.149 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 66.0 mtp85 -81.92 -33.81 30.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 49' ' ' ALA . 0.3 OUTLIER -58.83 -56.07 26.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' A' ' 55' ' ' MET . . . 95.56 -54.15 1.73 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.512 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.555 ' O ' ' CE1' ' A' ' 13' ' ' PHE . 48.4 mmt-85 -35.75 -31.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.832 0.349 . . . . 0.0 110.863 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.499 ' N ' ' O ' ' A' ' 53' ' ' GLY . 2.4 ptm -128.23 140.11 52.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.478 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -130.71 171.2 13.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.929 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.512 HG23 HG12 ' A' ' 40' ' ' VAL . 6.6 p -83.13 138.91 18.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 103.52 -9.39 52.84 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.494 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.777 ' HB2' HD21 ' A' ' 92' ' ' LEU . 23.2 m-20 -77.77 -174.75 3.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.742 0.305 . . . . 0.0 110.904 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.499 ' NE2' ' O ' ' A' ' 61' ' ' ILE . 10.2 tm0? -123.28 115.12 21.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.584 HG12 HD13 ' A' ' 92' ' ' LEU . 21.8 mt -84.01 122.53 37.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.099 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.675 ' N ' HD13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -98.5 -31.82 3.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.846 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.403 ' HG2' ' N ' ' A' ' 64' ' ' ILE . 29.3 tt0 -131.74 150.45 52.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.927 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.408 ' CD1' HD13 ' A' ' 38' ' ' LEU . 43.4 mt -139.19 114.91 8.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.13 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.486 ' ND2' ' O ' ' A' ' 80' ' ' LEU . 29.2 m-20 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 6.5 mtm . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.922 0.391 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.433 ' O ' ' C ' ' A' ' 74' ' ' HIS . 33.7 p -105.76 147.55 28.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.2 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.542 ' CE1' ' HA ' ' A' ' 29' ' ' ARG . 12.7 t-160 -35.19 -41.85 0.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.815 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.66 -49.76 75.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 73' ' ' THR . 6.4 tpt180 -54.78 -63.18 1.23 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -43.97 -37.65 3.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.055 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 7.5 mm -66.16 -33.53 64.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.102 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 76' ' ' ARG . 2.1 pt-20 -81.96 -26.44 33.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.486 ' O ' ' ND2' ' A' ' 65' ' ' ASN . 92.5 mt -67.31 -42.41 83.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.94 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 20.0 mt -59.86 -30.1 44.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.145 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.6 ptpt -97.8 -17.97 19.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.1 t -73.19 -36.05 66.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -67.84 -41.92 87.41 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.497 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 131.44 -134.7 7.81 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.5 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.502 ' O ' ' N ' ' A' ' 19' ' ' LYS . 19.7 mtt-85 -88.18 -18.31 29.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.827 0.346 . . . . 0.0 110.881 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 81.5 mtt180 -113.68 123.09 49.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.591 HG22 HD23 ' A' ' 90' ' ' LEU . 12.5 p -119.55 149.27 22.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.407 HH21 HG21 ' A' ' 14' ' ' THR . 26.8 ttt85 -141.39 114.48 8.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.591 HD23 HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -129.34 148.91 51.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.453 HD22 ' CG1' ' A' ' 62' ' ' ILE . 3.1 tt -87.8 114.56 24.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.777 HD21 ' HB2' ' A' ' 59' ' ' ASP . 8.4 tp . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.596 ' CD1' ' O ' ' A' ' 92' ' ' LEU . 22.4 p90 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.944 0.402 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.824 HG21 HH21 ' A' ' 89' ' ' ARG . 64.5 p -91.87 160.35 15.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.148 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 57.8 t -118.48 148.49 21.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.185 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -136.21 118.5 15.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.526 ' HE1' ' CD2' ' A' ' 26' ' ' PHE . 3.8 mtm -152.22 169.06 23.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.415 ' CG ' ' HG2' ' A' ' 87' ' ' ARG . 6.2 mt-10 -121.18 175.01 6.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 86' ' ' ARG . 2.5 ttmm . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.646 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -153.2 143.85 22.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.837 0.351 . . . . 0.0 110.91 -179.868 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 14.0 t -122.36 159.41 27.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.458 HG22 ' CD1' ' A' ' 61' ' ' ILE . 0.7 OUTLIER -118.63 169.96 8.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.112 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -146.08 165.55 28.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.838 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.03 -168.62 54.81 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.507 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 131.21 171.87 12.98 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.494 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -51.86 -28.1 14.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.755 0.312 . . . . 0.0 110.877 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -62.12 -37.93 86.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.927 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -106.93 9.69 30.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.0 mmtm 55.98 48.77 17.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.3 ptm -151.25 162.72 40.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.545 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 6.0 m-20 -67.85 168.53 11.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.87 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.4 mt -94.22 119.94 33.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.545 ' CE1' ' O ' ' A' ' 37' ' ' ASP . 2.0 m-85 -120.47 168.3 11.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 77.4 t -82.08 97.96 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.104 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.645 HD13 ' C ' ' A' ' 41' ' ' LEU . 1.5 tm? -48.03 -64.36 0.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.425 ' C ' ' HD2' ' A' ' 42' ' ' ARG . 0.3 OUTLIER -149.82 177.32 9.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.755 HD11 ' HA ' ' A' ' 56' ' ' ARG . 11.4 mt -130.46 151.1 51.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -91.17 114.26 26.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.119 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.731 ' HA ' HD13 ' A' ' 50' ' ' ILE . 1.0 OUTLIER -55.65 -26.01 42.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.916 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -111.96 22.03 15.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -103.47 162.88 15.67 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.504 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -23.84 30.42 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.709 2.273 . . . . 0.0 112.36 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.87 -61.5 1.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.09 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.731 HD13 ' HA ' ' A' ' 45' ' ' GLU . 9.8 tt -51.85 -17.91 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 -87.31 -29.16 21.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.924 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.578 ' ND2' ' H ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -61.73 -60.37 3.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.578 ' H ' ' ND2' ' A' ' 52' ' ' ASN . . . 108.94 -49.89 0.82 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.462 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.477 ' C ' ' O ' ' A' ' 53' ' ' GLY . 26.0 mmt85 -31.92 -69.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.851 0.358 . . . . 0.0 110.885 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.67 ' HB2' HD22 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -87.32 173.69 9.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.755 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.7 OUTLIER -175.58 -175.77 0.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 31.2 t -81.55 128.11 39.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 110.37 -9.55 30.84 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.486 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.929 ' CB ' HD21 ' A' ' 92' ' ' LEU . 56.2 m-20 -83.39 169.5 15.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.803 0.335 . . . . 0.0 110.852 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.499 ' NE2' ' O ' ' A' ' 61' ' ' ILE . 3.8 tm0? -123.34 114.25 19.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.569 HG12 HD13 ' A' ' 92' ' ' LEU . 5.8 mt -80.7 125.2 39.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.559 ' N ' HD13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -103.55 -29.64 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.138 179.838 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.478 ' HG2' ' N ' ' A' ' 64' ' ' ILE . 11.7 tt0 -135.89 150.73 49.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.478 ' N ' ' HG2' ' A' ' 63' ' ' GLU . 96.5 mt -137.2 124.12 29.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 179.952 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 5.1 mtm . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.855 0.36 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 76' ' ' ARG . 46.8 p -100.36 143.95 29.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.18 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.452 ' C ' ' O ' ' A' ' 73' ' ' THR . 17.3 t-160 -34.28 -38.57 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.834 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.78 -49.21 78.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.139 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 73' ' ' THR . 7.4 tpt180 -55.16 -62.45 1.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -45.79 -31.93 2.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.079 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 6.5 mm -72.77 -32.06 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -82.88 -23.98 33.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 45.3 mt -70.37 -40.85 73.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.42 HG23 HG21 ' A' ' 88' ' ' VAL . 18.8 mt -61.47 -30.21 47.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.9 ptpt -97.26 -16.61 20.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 29.7 t -75.82 -29.84 58.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -70.47 -44.96 56.76 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.437 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 133.61 -149.88 19.78 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.463 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 19' ' ' LYS . 8.6 mtm-85 -69.1 -28.29 66.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 0.0 110.908 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.415 ' HG2' ' CG ' ' A' ' 18' ' ' GLU . 76.2 mtt180 -109.74 126.17 53.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.737 HG22 HD23 ' A' ' 90' ' ' LEU . 7.6 p -120.07 136.53 56.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.159 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.824 HH21 HG21 ' A' ' 14' ' ' THR . 45.2 ttt180 -130.57 112.69 13.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.737 HD23 HG22 ' A' ' 88' ' ' VAL . 0.1 OUTLIER -123.38 148.94 45.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.467 ' CB ' ' HB3' ' A' ' 63' ' ' GLU . 1.3 tt -86.25 106.6 17.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.929 HD21 ' CB ' ' A' ' 59' ' ' ASP . 6.9 tp . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -105.21 161.57 14.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.922 0.391 . . . . 0.0 110.837 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.0 m -151.68 137.47 18.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.837 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.29 134.73 2.04 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.538 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 m -72.73 170.55 14.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.842 0.353 . . . . 0.0 110.833 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.6 p -98.97 133.07 43.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.12 88.95 2.02 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.45 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -80.39 83.37 6.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.813 0.34 . . . . 0.0 110.899 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.52 176.77 5.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -61.53 -177.8 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -66.63 118.68 10.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -87.88 85.27 6.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.555 ' CZ ' ' O ' ' A' ' 54' ' ' ARG . 6.7 p90 -108.33 151.82 25.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 44.3 p -93.68 159.13 15.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 84.2 t -117.32 143.41 27.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -135.35 118.92 16.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.6 mtm -152.93 163.9 38.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -117.76 175.25 5.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 86' ' ' ARG . 0.1 OUTLIER -73.22 160.74 31.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -130.68 -157.34 8.9 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.456 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.31 -57.22 11.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.795 0.331 . . . . 0.0 111.077 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.9 mmtt -112.72 29.72 7.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 113.92 -174.93 15.95 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.523 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.969 ' CE1' HG12 ' A' ' 88' ' ' VAL . 87.3 m-85 -54.45 -22.84 13.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.918 0.39 . . . . 0.0 110.858 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.78 40.35 17.99 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.45 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.647 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -152.89 142.82 22.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.836 0.35 . . . . 0.0 110.902 -179.889 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.5 t -118.17 168.83 10.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.824 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -130.55 168.65 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.098 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.451 ' CD ' ' CE ' ' A' ' 36' ' ' MET . 0.0 OUTLIER -146.29 164.92 30.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.438 ' CA ' ' HG3' ' A' ' 36' ' ' MET . . . 76.8 -172.97 54.85 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.483 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 132.3 165.2 11.22 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.481 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.432 ' HG3' ' C ' ' A' ' 71' ' ' ASP . 9.6 mmm180 -46.82 -32.36 3.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.753 0.311 . . . . 0.0 110.869 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -58.38 -36.73 73.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -109.21 6.88 25.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 49.3 mmtm 58.77 53.91 5.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.451 ' CE ' ' CD ' ' A' ' 29' ' ' ARG . 3.3 ptm -157.82 160.11 37.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.501 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . 2.4 m-20 -64.22 170.66 3.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.898 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.3 mt -98.16 118.44 34.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.501 ' CZ ' ' HB2' ' A' ' 37' ' ' ASP . 1.9 m-85 -118.64 168.18 10.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.922 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 76.6 t -85.34 101.72 10.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.137 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.544 HD13 ' C ' ' A' ' 41' ' ' LEU . 0.6 OUTLIER -49.04 -67.31 0.28 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.456 ' HD3' ' N ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -147.36 -179.87 7.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.666 HD21 ' SD ' ' A' ' 55' ' ' MET . 11.8 mt -131.37 150.53 52.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.944 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.45 118.87 27.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.079 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.682 ' HA ' HD13 ' A' ' 50' ' ' ILE . 5.6 pt-20 -58.66 -33.3 69.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -111.54 36.66 3.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -119.97 165.18 13.56 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.531 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -16.2 37.49 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.742 2.294 . . . . 0.0 112.336 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.25 -60.72 2.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.105 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.682 HD13 ' HA ' ' A' ' 45' ' ' GLU . 9.4 tt -55.32 -15.29 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.16 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 39.4 mtp180 -94.2 -19.28 20.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.423 ' ND2' ' H ' ' A' ' 55' ' ' MET . 0.5 OUTLIER -65.72 -57.0 9.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.47 ' O ' ' CD ' ' A' ' 56' ' ' ARG . . . 98.03 -53.71 1.21 Allowed Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.475 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.555 ' O ' ' CZ ' ' A' ' 13' ' ' PHE . 17.8 mmt180 -40.35 -30.73 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.756 0.312 . . . . 0.0 110.851 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.666 ' SD ' HD21 ' A' ' 43' ' ' LEU . 0.2 OUTLIER -123.74 139.66 53.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.47 ' CD ' ' O ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -132.62 -176.11 3.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.84 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.613 HG23 HD12 ' A' ' 43' ' ' LEU . 95.0 t -91.0 117.02 33.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.116 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 114.88 19.54 5.99 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.472 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.763 ' HB2' HD21 ' A' ' 92' ' ' LEU . 1.0 OUTLIER -104.43 176.43 5.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.723 0.296 . . . . 0.0 110.896 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.495 ' NE2' ' O ' ' A' ' 61' ' ' ILE . 1.4 tm0? -120.48 118.23 29.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.568 HG12 HD13 ' A' ' 92' ' ' LEU . 14.4 mt -86.39 119.99 35.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.547 ' CG1' HD22 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -101.04 -18.06 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 179.872 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.701 ' HA ' HG23 ' A' ' 69' ' ' THR . 13.9 tt0 -142.09 151.72 42.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 78.5 mt -142.84 116.97 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.114 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 33.2 m-20 56.13 27.4 11.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.88 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.425 ' HA2' ' NH2' ' A' ' 89' ' ' ARG . . . 77.42 13.4 83.59 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.532 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 68' ' ' SER . 8.9 mt-10 -110.33 106.68 16.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.855 0.359 . . . . 0.0 110.877 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 67' ' ' GLU . 61.4 m -34.49 120.63 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.701 HG23 ' HA ' ' A' ' 63' ' ' GLU . 43.2 p -83.61 58.58 4.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.154 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 28.9 ptt180 -119.38 149.37 41.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.432 ' C ' ' HG3' ' A' ' 32' ' ' ARG . 57.8 m-20 48.37 27.85 1.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 4.9 mtm -106.11 153.38 22.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 76' ' ' ARG . 35.5 p -106.38 145.81 31.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.414 ' C ' ' O ' ' A' ' 73' ' ' THR . 18.7 t-160 -37.2 -34.22 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.69 -46.78 83.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.115 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 73' ' ' THR . 6.7 tpt180 -54.7 -64.27 0.89 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -45.87 -33.06 2.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.105 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.6 mm -70.48 -32.39 49.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.13 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -84.02 -24.69 30.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.431 HD21 ' NE ' ' A' ' 76' ' ' ARG . 26.6 mt -67.92 -39.15 83.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 21.2 mt -63.83 -30.91 51.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.8 ptpt -97.04 -15.82 20.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 33.9 t -75.64 -34.65 60.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.832 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -71.33 -39.95 61.21 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.5 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 132.11 -127.83 5.06 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.497 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.502 ' O ' ' CE1' ' A' ' 24' ' ' PHE . 8.7 mtt-85 -94.31 -18.73 21.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.82 0.343 . . . . 0.0 110.879 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 31.3 mtm180 -109.47 122.81 48.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.969 HG12 ' CE1' ' A' ' 24' ' ' PHE . 8.8 p -122.96 124.68 70.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.12 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.425 ' NH2' ' HA2' ' A' ' 66' ' ' GLY . 17.4 ttp85 -118.74 112.49 19.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.756 HD23 HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -125.56 146.71 49.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.547 HD22 ' CG1' ' A' ' 62' ' ' ILE . 3.6 tt -84.69 112.83 20.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.763 HD21 ' HB2' ' A' ' 59' ' ' ASP . 6.7 tp -124.67 150.9 45.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.7 pttt -134.93 129.19 33.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.94 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 11.2 tpt85 -79.27 141.21 37.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -86.41 36.58 3.2 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.469 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 13.3 t -82.55 -28.99 30.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.828 0.347 . . . . 0.0 111.174 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 86.24 178.94 49.71 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.42 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.7 p -85.22 1.32 48.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.873 0.368 . . . . 0.0 110.855 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 126.19 -157.6 20.13 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.501 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 115.25 4.01 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.688 2.259 . . . . 0.0 112.367 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.5 m -86.19 85.84 7.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 46.7 t -160.53 139.59 10.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.866 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.498 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.1 t -57.47 -49.94 74.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.816 0.341 . . . . 0.0 110.812 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.4 t -94.22 79.42 3.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.97 -157.48 8.17 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.8 m -46.23 131.95 10.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.862 0.363 . . . . 0.0 110.866 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 m -94.17 97.33 10.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.829 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.45 94.62 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.503 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -128.31 89.77 2.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.813 0.339 . . . . 0.0 110.908 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.542 ' HB3' ' CZ ' ' A' ' 12' ' ' TYR . 2.0 p30 -43.5 159.58 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.833 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.593 ' CE1' ' HE2' ' A' ' 93' ' ' LYS . 36.0 p90 -164.57 129.19 2.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.839 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.4 t70 62.33 45.69 6.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.884 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.542 ' CZ ' ' HB3' ' A' ' 9' ' ' ASP . 2.5 m-85 -77.55 86.5 3.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.461 ' CE1' ' O ' ' A' ' 54' ' ' ARG . 19.4 p90 -110.7 153.19 25.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 51.4 p -93.75 162.22 14.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.092 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.567 HG13 ' HB2' ' A' ' 54' ' ' ARG . 32.7 t -126.04 145.66 33.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.127 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -135.82 123.24 21.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.5 mtm -155.45 174.89 14.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.487 ' O ' ' CD2' ' A' ' 24' ' ' PHE . 3.8 mp0 -116.94 174.26 6.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.83 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.576 ' HE2' ' CE1' ' A' ' 24' ' ' PHE . 13.0 ttmm -87.51 167.07 14.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.882 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -125.44 -122.2 2.59 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.501 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.55 -56.43 3.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.9 0.381 . . . . 0.0 111.052 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.05 25.45 10.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.941 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 133.67 -163.9 24.4 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.513 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 1.015 ' CE2' HG12 ' A' ' 88' ' ' VAL . 51.6 m-85 -82.25 37.52 0.5 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.899 0.381 . . . . 0.0 110.866 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 24' ' ' PHE . . . 36.67 40.24 0.45 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.503 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.647 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -153.15 138.35 17.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.868 0.366 . . . . 0.0 110.877 -179.888 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.2 t -112.36 164.65 13.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.838 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -126.95 168.63 19.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.117 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.503 ' HB3' HD23 ' A' ' 41' ' ' LEU . 5.1 ptp85 -147.54 161.51 40.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.43 -167.69 53.31 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.505 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 132.01 168.58 12.11 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.487 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.44 ' NE ' ' HA ' ' A' ' 32' ' ' ARG . 3.2 mmp_? -49.16 -27.96 3.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.812 0.339 . . . . 0.0 110.884 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -61.86 -35.69 79.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -108.98 11.32 25.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 47.1 mmtt 57.85 47.26 15.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.2 ptm -152.45 162.55 41.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.49 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 0.4 OUTLIER -69.7 170.92 9.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.837 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.86 HD12 ' HB ' ' A' ' 69' ' ' THR . 9.5 mt -95.76 116.14 28.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.494 ' CE2' ' HG2' ' A' ' 60' ' ' GLN . 1.8 m-85 -113.43 167.31 10.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 39.7 t -82.64 101.55 7.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.131 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.544 HD13 ' C ' ' A' ' 41' ' ' LEU . 1.0 OUTLIER -53.67 -66.07 0.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.466 ' HG2' ' N ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -150.42 150.11 30.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.814 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.466 ' N ' ' HG2' ' A' ' 42' ' ' ARG . 12.1 mt -106.03 151.13 25.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.69 118.58 29.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.885 ' HA ' HD13 ' A' ' 50' ' ' ILE . 7.9 pt-20 -59.67 -23.84 63.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.855 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -116.51 25.77 10.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -108.41 167.42 13.21 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.506 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -26.77 27.06 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.648 2.232 . . . . 0.0 112.357 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.563 ' HB2' ' O ' ' A' ' 24' ' ' PHE . . . -65.61 -63.96 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.116 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.885 HD13 ' HA ' ' A' ' 45' ' ' GLU . 5.1 tt -46.98 -23.73 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.148 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 66.3 mtp180 -82.91 -31.26 27.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 49' ' ' ALA . 0.4 OUTLIER -58.06 -59.46 5.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.495 ' O ' ' N ' ' A' ' 55' ' ' MET . . . 98.65 -53.6 1.11 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.499 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.567 ' HB2' HG13 ' A' ' 15' ' ' VAL . 50.5 mmt-85 -36.84 -29.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.769 0.319 . . . . 0.0 110.878 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.495 ' N ' ' O ' ' A' ' 53' ' ' GLY . 3.1 ptm -125.28 146.11 49.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.464 ' HA ' HD11 ' A' ' 43' ' ' LEU . 5.3 mpt_? -140.13 -177.3 4.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 88.0 t -81.07 138.63 19.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.139 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 96.22 -24.82 28.51 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.482 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.977 ' CB ' HD21 ' A' ' 92' ' ' LEU . 6.0 m-20 -54.81 169.33 0.22 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.8 0.333 . . . . 0.0 110.84 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.495 ' NE2' ' O ' ' A' ' 61' ' ' ILE . 1.4 tm0? -121.43 117.68 27.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.592 HG12 HD13 ' A' ' 92' ' ' LEU . 6.7 mt -90.55 127.36 43.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.113 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.724 ' N ' HD13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -105.4 -16.87 7.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 179.878 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.41 ' HB3' ' CB ' ' A' ' 91' ' ' LEU . 16.2 tt0 -140.66 149.04 41.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.502 HD12 HD13 ' A' ' 38' ' ' LEU . 56.1 mt -141.19 119.9 10.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.162 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.41 ' ND2' ' O ' ' A' ' 80' ' ' LEU . 29.5 m-20 52.56 27.3 4.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 82.22 34.27 23.94 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.478 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -127.06 158.84 35.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.807 0.337 . . . . 0.0 110.888 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.401 ' O ' ' HG3' ' A' ' 72' ' ' MET . 34.7 p -85.56 96.47 9.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.83 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.86 ' HB ' HD12 ' A' ' 38' ' ' LEU . 58.0 p -59.08 -9.67 2.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.124 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -67.42 -25.59 66.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -123.32 52.07 1.42 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.401 ' HG3' ' O ' ' A' ' 68' ' ' SER . 3.1 mtm -149.46 144.99 26.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 44.9 p -94.99 158.69 15.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.119 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.436 ' CE1' ' HA ' ' A' ' 29' ' ' ARG . 13.5 t-160 -44.27 -29.48 0.66 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.63 -50.33 38.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -49.6 -53.04 26.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.2 -50.13 67.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.089 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.4 ' HA ' HD12 ' A' ' 81' ' ' ILE . 2.9 mm -60.16 -16.96 13.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.072 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -95.21 -33.46 12.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.41 ' O ' ' ND2' ' A' ' 65' ' ' ASN . 30.7 mt -70.19 -40.26 74.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.4 HD12 ' HA ' ' A' ' 78' ' ' ILE . 20.7 mt -57.51 -32.7 42.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.159 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 7.3 ptpt -97.18 -12.08 23.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.6 t -81.17 -30.08 34.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.823 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -70.6 -43.39 60.7 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.501 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 134.7 -130.44 5.51 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.463 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 19' ' ' LYS . 6.8 mtm-85 -90.8 -24.34 20.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.79 0.328 . . . . 0.0 110.87 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 -109.3 130.62 55.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 1.015 HG12 ' CE2' ' A' ' 24' ' ' PHE . 11.9 p -124.86 142.19 42.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.131 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.407 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 42.6 ttt180 -133.25 121.17 22.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.666 HD23 HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -135.89 150.19 49.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.513 HD23 ' N ' ' A' ' 92' ' ' LEU . 3.7 tt -88.89 117.48 27.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.977 HD21 ' CB ' ' A' ' 59' ' ' ASP . 6.8 tp -127.06 146.82 50.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.593 ' HE2' ' CE1' ' A' ' 10' ' ' PHE . 9.1 ptmt -118.57 129.35 55.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 6.7 tpp85 -109.41 131.3 55.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -88.24 74.5 2.13 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 10.1 t -104.26 -33.97 8.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.857 0.36 . . . . 0.0 111.181 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -104.05 160.01 16.22 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.454 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 11.6 t -174.65 148.72 1.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.92 0.391 . . . . 0.0 110.869 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -67.4 -75.91 0.43 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.515 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 133.41 25.5 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.696 2.264 . . . . 0.0 112.349 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 45.0 m -102.58 147.93 26.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 7.8 t 68.12 43.95 1.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.826 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.505 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.5 m -127.82 91.17 3.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.884 0.373 . . . . 0.0 110.894 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.1 m -95.77 41.96 1.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.0 64.16 0.25 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.507 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.6 p -45.16 -45.11 11.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.869 0.366 . . . . 0.0 110.859 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.7 m -128.66 82.3 2.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.813 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.1 -37.35 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.45 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 -100.39 83.11 2.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.771 0.319 . . . . 0.0 110.954 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.598 ' HB3' ' CE1' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -104.99 -173.58 2.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -78.88 43.67 0.51 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.482 ' O ' ' N ' ' A' ' 13' ' ' PHE . 2.0 t70 73.79 54.67 0.11 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.598 ' CE1' ' HB3' ' A' ' 9' ' ' ASP . 2.5 m-30 -47.93 89.64 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.482 ' CZ ' ' O ' ' A' ' 54' ' ' ARG . 11.4 p90 -107.82 155.23 20.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 76.1 p -95.64 162.47 13.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.196 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.422 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 44.5 t -119.79 144.62 27.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.121 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -135.56 114.34 11.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.851 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.0 mtm -147.41 168.44 21.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.454 ' CG ' ' HG2' ' A' ' 87' ' ' ARG . 3.1 mt-10 -117.42 170.02 9.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.513 ' CE ' ' CE2' ' A' ' 24' ' ' PHE . 12.3 ttmt -83.2 146.51 28.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -105.88 -136.8 8.6 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.439 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.91 -49.1 14.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.815 0.34 . . . . 0.0 111.106 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.86 28.88 8.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 116.78 -176.14 16.1 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.512 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.908 ' CE1' HG12 ' A' ' 88' ' ' VAL . 69.7 m-85 -59.41 -15.48 17.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.887 0.375 . . . . 0.0 110.845 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.38 40.89 18.05 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.522 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.628 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -153.3 137.17 16.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.884 0.374 . . . . 0.0 110.883 -179.887 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.6 t -111.02 158.28 18.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.841 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -123.18 170.08 13.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.136 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.591 ' HB3' HD23 ' A' ' 41' ' ' LEU . 10.8 ptt180 -150.49 165.32 33.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.866 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.05 -167.71 53.64 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.46 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.52 167.74 12.26 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.477 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -45.68 -34.52 3.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.781 0.324 . . . . 0.0 110.847 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -56.36 -39.99 73.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.405 ' HB2' ' SD ' ' A' ' 36' ' ' MET . 8.1 m-85 -104.57 18.09 22.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 68.8 mmtt 49.8 46.91 23.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.405 ' SD ' ' HB2' ' A' ' 34' ' ' TYR . 4.0 ptm -151.43 169.89 20.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.587 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 0.7 OUTLIER -77.3 170.63 16.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.88 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.767 HD12 ' HB ' ' A' ' 69' ' ' THR . 8.3 mt -94.36 122.58 37.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.587 ' CE1' ' O ' ' A' ' 37' ' ' ASP . 1.0 OUTLIER -122.84 168.1 12.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 41.5 t -81.42 102.98 7.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.187 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.591 HD23 ' HB3' ' A' ' 29' ' ' ARG . 1.0 OUTLIER -55.3 -63.77 1.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.447 ' HG2' ' N ' ' A' ' 43' ' ' LEU . 0.5 OUTLIER -153.86 151.48 29.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.467 HD21 ' SD ' ' A' ' 55' ' ' MET . 11.9 mt -104.12 147.26 27.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.408 ' O ' ' CG2' ' A' ' 50' ' ' ILE . . . -85.21 118.5 24.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.142 179.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.834 ' HA ' HD13 ' A' ' 50' ' ' ILE . 11.4 pt-20 -61.52 -20.75 63.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -116.16 31.77 6.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.498 ' O ' HG22 ' A' ' 50' ' ' ILE . . . -122.56 164.57 15.53 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.512 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.429 ' N ' HH21 ' A' ' 51' ' ' ARG . 53.6 Cg_endo -69.8 -23.5 30.53 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.668 2.245 . . . . 0.0 112.328 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.452 ' CB ' ' HB3' ' A' ' 26' ' ' PHE . . . -65.62 -55.01 19.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.116 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.834 HD13 ' HA ' ' A' ' 45' ' ' GLU . 16.0 tt -58.2 -18.38 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.429 HH21 ' N ' ' A' ' 48' ' ' PRO . 48.2 mtm180 -94.62 -18.16 21.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -64.2 -55.75 19.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.422 ' O ' ' N ' ' A' ' 55' ' ' MET . . . 96.0 -54.26 1.61 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.506 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.482 ' O ' ' CZ ' ' A' ' 13' ' ' PHE . 66.0 mtt85 -37.61 -32.01 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.841 0.353 . . . . 0.0 110.885 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.571 ' HB2' HD22 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -124.58 150.21 46.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.424 ' HA ' HD11 ' A' ' 43' ' ' LEU . 5.0 mpt_? -142.31 -178.13 5.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 94.4 t -84.63 122.81 38.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.132 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 116.04 -33.94 4.95 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.492 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.796 ' HB2' HD21 ' A' ' 92' ' ' LEU . 57.2 m-20 -50.98 168.75 0.05 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.788 0.328 . . . . 0.0 110.812 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.456 HE22 HG23 ' A' ' 62' ' ' ILE . 17.0 tm0? -117.41 121.56 41.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.963 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.658 HG12 HD13 ' A' ' 92' ' ' LEU . 8.4 mt -93.52 128.63 44.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.488 ' N ' HD13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -107.36 -20.41 6.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 179.854 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.549 ' HA ' HG23 ' A' ' 69' ' ' THR . 19.8 tt0 -137.83 148.66 45.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.729 HG13 HG21 ' A' ' 69' ' ' THR . 75.8 mt -141.4 123.98 14.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.092 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.422 ' ND2' ' O ' ' A' ' 80' ' ' LEU . 25.9 m-20 48.99 43.77 22.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 65.21 35.89 92.18 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.535 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -135.05 128.72 32.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.839 0.352 . . . . 0.0 110.908 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.1 t -61.14 121.86 13.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.767 ' HB ' HD12 ' A' ' 38' ' ' LEU . 19.0 p -96.2 49.13 1.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.158 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.8 ttt180 -100.48 -42.54 6.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.2 p30 -116.85 47.22 1.5 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 9.3 mtm -124.07 156.82 35.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 75' ' ' ALA . 67.6 p -107.17 146.5 31.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.447 ' CE1' ' HA ' ' A' ' 29' ' ' ARG . 13.6 t-160 -34.44 -36.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 73' ' ' THR . . . -61.26 -54.03 49.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.487 ' NE ' HD21 ' A' ' 80' ' ' LEU . 6.2 tpt180 -47.67 -55.8 8.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -49.66 -48.8 49.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.12 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.5 mm -60.82 -21.2 23.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.6 -33.25 16.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.828 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.487 HD21 ' NE ' ' A' ' 76' ' ' ARG . 40.2 mt -67.79 -39.66 84.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 24.7 mt -60.15 -33.76 54.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.158 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.406 ' HA ' ' NZ ' ' A' ' 19' ' ' LYS . 0.8 OUTLIER -97.44 -19.37 18.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.827 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.0 t -77.26 -30.12 54.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.872 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -68.63 -46.99 59.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.473 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 137.16 -132.0 5.8 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.468 ' O ' ' N ' ' A' ' 19' ' ' LYS . 43.1 mtt180 -92.12 -21.53 20.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.816 0.341 . . . . 0.0 110.855 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.454 ' HG2' ' CG ' ' A' ' 18' ' ' GLU . 62.7 mtt180 -115.34 122.88 47.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.908 HG12 ' CE1' ' A' ' 24' ' ' PHE . 11.0 p -118.82 145.75 24.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.169 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.422 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 43.6 ttt180 -136.13 117.24 14.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.603 HD23 HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -129.45 147.24 51.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.563 HD23 ' N ' ' A' ' 92' ' ' LEU . 4.0 tt -82.81 120.48 25.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.796 HD21 ' HB2' ' A' ' 59' ' ' ASP . 7.4 tp -134.48 145.72 49.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.413 ' NZ ' ' HB3' ' A' ' 60' ' ' GLN . 17.0 pttm -125.45 130.07 51.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.434 ' HD3' ' N ' ' A' ' 95' ' ' GLY . 2.8 tmt_? -90.47 144.99 25.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.841 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.434 ' N ' ' HD3' ' A' ' 94' ' ' ARG . . . -86.15 60.07 4.62 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.504 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.43 ' O ' ' C ' ' A' ' 97' ' ' GLY . 10.1 t -97.8 -41.06 8.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.824 0.345 . . . . 0.0 111.157 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 96' ' ' THR . . . -35.39 -77.07 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.488 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.1 t -108.96 37.61 2.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.849 0.357 . . . . 0.0 110.839 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 45.68 -171.54 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.497 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 179.54 3.64 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.673 2.249 . . . . 0.0 112.351 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.5 t 69.03 42.08 1.32 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.84 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 20.9 m -77.07 92.23 3.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.489 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.4 m -73.36 151.69 41.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.902 0.382 . . . . 0.0 110.85 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t 60.75 49.56 6.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.23 133.9 11.5 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.487 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.3 t -140.05 122.73 16.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.921 0.391 . . . . 0.0 110.852 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.9 t -122.52 92.09 3.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.88 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.25 85.91 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.527 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -119.21 111.34 18.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.867 0.365 . . . . 0.0 110.875 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.465 ' HB2' ' CZ ' ' A' ' 12' ' ' TYR . 8.8 m-20 -123.6 -175.08 3.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.481 ' CD2' ' O ' ' A' ' 94' ' ' ARG . 9.3 m-85 -63.02 -174.9 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.42 116.64 6.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.834 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.465 ' CZ ' ' HB2' ' A' ' 9' ' ' ASP . 13.4 m-85 -84.46 97.11 9.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.945 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.542 ' CD1' ' O ' ' A' ' 92' ' ' LEU . 30.1 p90 -111.0 161.57 15.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.882 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 64.4 p -103.93 157.33 17.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.162 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 44.6 t -114.39 143.32 24.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.146 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -135.64 110.85 8.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.5 mtm -145.39 178.5 8.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.476 ' CG ' ' HG2' ' A' ' 87' ' ' ARG . 7.9 mt-10 -128.25 173.74 9.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.44 ' HE2' ' CD2' ' A' ' 24' ' ' PHE . 9.2 ttmt -83.81 149.85 26.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -115.53 -151.85 9.97 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.472 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.22 -50.24 71.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.861 0.362 . . . . 0.0 111.111 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -110.43 29.77 7.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 109.02 -174.15 18.06 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.504 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 1.122 ' CE1' HG12 ' A' ' 88' ' ' VAL . 62.9 m-85 -56.64 -15.68 4.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.907 0.384 . . . . 0.0 110.911 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.06 37.22 29.52 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.636 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -152.32 143.24 23.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.853 0.359 . . . . 0.0 110.84 -179.847 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.5 t -115.28 172.18 7.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.405 ' O ' ' NE2' ' A' ' 74' ' ' HIS . 0.6 OUTLIER -136.49 170.26 18.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.183 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.495 ' HA ' ' CE1' ' A' ' 74' ' ' HIS . 4.7 ptp180 -151.25 170.06 20.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.45 -171.26 51.7 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.474 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 130.89 171.76 12.97 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.5 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.5 mmt180 -50.64 -27.32 6.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.778 0.323 . . . . 0.0 110.883 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -62.55 -32.81 73.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -114.68 12.13 17.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.96 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.82 53.63 10.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.3 ptm -157.54 163.02 38.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.553 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 1.2 m-20 -67.34 171.0 6.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.865 HD12 ' HB ' ' A' ' 69' ' ' THR . 8.5 mt -97.65 117.69 32.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.553 ' CE1' ' O ' ' A' ' 37' ' ' ASP . 0.4 OUTLIER -119.47 163.61 17.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 64.8 t -78.89 111.62 15.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.125 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.496 HD13 ' C ' ' A' ' 41' ' ' LEU . 2.1 tm? -61.07 -57.61 11.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.473 ' HG2' ' N ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -158.73 149.3 19.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.698 HD11 ' HA ' ' A' ' 56' ' ' ARG . 10.8 mt -100.55 151.07 22.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -86.39 116.68 24.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.754 ' HA ' HD13 ' A' ' 50' ' ' ILE . 15.9 pt-20 -63.11 -22.77 67.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -113.12 15.67 19.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -103.35 167.07 16.46 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.47 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -29.02 24.28 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.678 2.252 . . . . 0.0 112.336 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.32 -60.88 3.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.074 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.754 HD13 ' HA ' ' A' ' 45' ' ' GLU . 5.6 tt -53.35 -16.83 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.127 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.2 mtp-105 -89.76 -27.28 20.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.59 -58.26 8.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 55' ' ' MET . . . 98.85 -54.21 1.05 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.489 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.511 ' O ' ' CE2' ' A' ' 13' ' ' PHE . 11.9 mmp_? -37.46 -31.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.821 0.344 . . . . 0.0 110.85 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.447 ' N ' ' O ' ' A' ' 53' ' ' GLY . 2.2 ptm -127.24 140.43 52.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.698 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.4 OUTLIER -135.99 171.5 14.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.891 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.426 HG12 ' H ' ' A' ' 57' ' ' VAL . 0.2 OUTLIER -79.98 128.84 38.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.155 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 112.67 2.2 25.71 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.528 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.803 ' HB2' HD21 ' A' ' 92' ' ' LEU . 1.7 m-20 -92.76 170.69 9.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.739 0.304 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 61' ' ' ILE . 5.8 tm0? -112.18 114.54 27.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.632 HG12 HD13 ' A' ' 92' ' ' LEU . 23.7 mt -83.05 125.65 40.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.687 ' N ' HD13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -103.16 -23.96 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.87 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.45 ' CA ' HG23 ' A' ' 69' ' ' THR . 18.1 tt0 -137.38 154.7 49.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.465 HD12 HG22 ' A' ' 69' ' ' THR . 96.1 mt -142.48 115.17 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.469 ' ND2' ' O ' ' A' ' 80' ' ' LEU . 34.0 m-20 56.35 27.41 11.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.829 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 82.61 33.15 25.67 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.52 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -134.61 131.96 38.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.896 0.379 . . . . 0.0 110.842 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.5 m -57.63 104.21 0.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.829 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.865 ' HB ' HD12 ' A' ' 38' ' ' LEU . 40.7 p -50.1 -18.12 0.52 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.148 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 38.6 ttt180 -67.2 141.81 57.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 71.9 26.33 2.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 4.1 mtm -127.55 144.81 51.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.418 ' O ' ' N ' ' A' ' 75' ' ' ALA . 35.6 p -97.55 148.89 22.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.133 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.495 ' CE1' ' HA ' ' A' ' 29' ' ' ARG . 17.1 t-160 -40.07 -28.38 0.05 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 73' ' ' THR . . . -69.68 -49.89 49.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.103 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.408 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 7.7 tpt180 -54.17 -59.4 4.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -48.49 -34.55 11.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.163 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.4 HG12 ' O ' ' A' ' 74' ' ' HIS . 4.8 mm -69.34 -27.51 34.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 76' ' ' ARG . 1.8 pt-20 -88.5 -23.59 23.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.469 ' O ' ' ND2' ' A' ' 65' ' ' ASN . 83.3 mt -71.65 -42.87 67.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 23.8 mt -57.61 -32.41 42.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.162 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -97.22 -16.27 20.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 39.0 t -73.84 -32.52 63.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -69.15 -39.98 82.82 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.534 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 130.4 -139.71 11.17 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.51 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 19' ' ' LYS . 15.7 mtm180 -82.29 -22.51 35.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.79 0.328 . . . . 0.0 110.867 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.476 ' HG2' ' CG ' ' A' ' 18' ' ' GLU . 70.7 mtp180 -112.47 123.06 49.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 1.122 HG12 ' CE1' ' A' ' 24' ' ' PHE . 10.6 p -118.85 147.21 22.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.149 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 19.9 ttm180 -140.72 116.91 10.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.601 HD23 HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -127.78 150.5 49.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.486 HD23 ' N ' ' A' ' 92' ' ' LEU . 2.0 tt -87.18 112.0 21.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.803 HD21 ' HB2' ' A' ' 59' ' ' ASP . 8.5 tp -121.31 152.35 39.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.43 129.62 29.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.481 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 3.6 mmt85 -72.69 162.08 29.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.45 ' HA2' ' CE2' ' A' ' 10' ' ' PHE . . . -105.03 51.9 0.75 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.466 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.7 t -106.54 -8.12 17.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.815 0.34 . . . . 0.0 111.103 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -69.82 -45.86 55.88 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.458 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.5 t -68.38 130.3 42.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.898 0.38 . . . . 0.0 110.892 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 76.04 165.9 20.24 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.459 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 0.51 5.53 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.667 2.245 . . . . 0.0 112.357 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.1 p 60.8 43.36 12.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.864 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.5 t -98.11 -45.0 6.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.891 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.475 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.3 p -134.94 99.36 4.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.865 0.364 . . . . 0.0 110.866 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.4 p -63.17 170.37 2.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.815 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.74 -112.96 0.49 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.5 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.7 m 47.99 37.83 8.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.873 0.368 . . . . 0.0 110.887 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.1 m -110.92 76.54 0.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.841 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.15 81.81 0.23 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.515 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -120.65 18.91 11.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.803 0.335 . . . . 0.0 110.949 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.571 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 6.1 m-20 -51.42 -175.46 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.541 ' CE2' ' HA ' ' A' ' 96' ' ' THR . 76.2 m-85 -52.18 -175.89 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -52.53 123.74 11.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.571 ' CE2' ' HB2' ' A' ' 9' ' ' ASP . 2.6 m-85 -107.47 75.95 1.05 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.495 ' CE1' ' O ' ' A' ' 54' ' ' ARG . 32.7 p90 -107.79 158.68 17.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.877 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 59.2 p -102.72 156.54 17.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.105 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.404 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 66.5 t -114.01 143.78 23.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.107 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -135.29 115.98 13.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.8 mtm -151.68 171.73 17.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.871 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.47 ' O ' ' CD2' ' A' ' 24' ' ' PHE . 9.4 mt-10 -117.09 174.69 5.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 86' ' ' ARG . 35.4 ttmt -88.39 152.43 21.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -109.76 -125.01 4.92 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.485 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.29 -56.6 3.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.856 0.36 . . . . 0.0 111.144 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -109.66 24.06 13.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 129.21 -165.5 21.89 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.463 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.985 ' CE2' HG12 ' A' ' 88' ' ' VAL . 46.6 m-85 -82.31 39.4 0.59 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.868 0.366 . . . . 0.0 110.893 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.462 ' C ' ' O ' ' A' ' 24' ' ' PHE . . . 32.33 40.73 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.451 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.654 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -153.09 140.93 20.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.869 0.366 . . . . 0.0 110.896 -179.898 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.2 t -117.95 165.23 13.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -126.55 169.88 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.12 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.468 ' HA ' ' CE1' ' A' ' 74' ' ' HIS . 4.0 ptp180 -145.99 165.06 30.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.5 -167.11 53.81 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 132.05 168.21 12.02 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.521 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.403 ' HG3' ' C ' ' A' ' 71' ' ' ASP . 9.2 mmm180 -52.41 -19.03 1.9 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.747 0.308 . . . . 0.0 110.864 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -69.13 -36.41 77.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -107.87 8.04 28.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.6 mptt 60.79 50.36 5.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.2 ptm -153.88 167.06 30.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.545 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 22.6 m-20 -73.4 170.51 14.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.639 HD12 ' HB ' ' A' ' 69' ' ' THR . 12.4 mt -94.57 117.53 30.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.918 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.545 ' CE1' ' O ' ' A' ' 37' ' ' ASP . 1.5 m-85 -118.01 167.1 11.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.479 HG21 ' O ' ' A' ' 56' ' ' ARG . 29.7 t -76.5 112.54 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.133 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.556 HD13 ' C ' ' A' ' 41' ' ' LEU . 3.5 tm? -66.87 -60.78 2.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.443 ' HG2' ' N ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -155.35 149.28 25.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.443 ' N ' ' HG2' ' A' ' 42' ' ' ARG . 11.8 mt -107.22 150.2 26.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.82 117.87 28.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.107 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.872 ' HA ' HD13 ' A' ' 50' ' ' ILE . 14.5 pt-20 -62.46 -15.12 48.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -121.17 12.24 11.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -96.76 168.24 24.83 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.492 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -25.75 28.45 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.702 2.268 . . . . 0.0 112.364 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 52' ' ' ASN . . . -64.42 -66.03 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.872 HD13 ' HA ' ' A' ' 45' ' ' GLU . 3.8 tt -45.96 -22.75 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -84.84 -32.25 23.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.846 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 49' ' ' ALA . 0.3 OUTLIER -58.1 -59.4 5.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.917 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' A' ' 55' ' ' MET . . . 99.36 -54.09 0.99 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.434 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.495 ' O ' ' CE1' ' A' ' 13' ' ' PHE . 16.5 mmt85 -34.52 -32.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.789 0.328 . . . . 0.0 110.861 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.5 ' N ' ' O ' ' A' ' 53' ' ' GLY . 4.1 ptm -123.92 144.94 49.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.479 ' O ' HG21 ' A' ' 40' ' ' VAL . 0.4 OUTLIER -138.02 -176.32 4.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.831 -179.89 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.442 HG23 HD12 ' A' ' 43' ' ' LEU . 57.7 t -85.5 140.51 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 92.31 3.77 66.95 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.472 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.89 ' CB ' HD21 ' A' ' 92' ' ' LEU . 4.0 m-20 -87.54 166.77 14.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.769 0.318 . . . . 0.0 110.841 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.465 ' NE2' ' O ' ' A' ' 61' ' ' ILE . 1.4 tm0? -113.22 119.02 36.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.616 HG12 HD13 ' A' ' 92' ' ' LEU . 12.4 mt -90.84 122.8 42.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.679 HD12 ' HD3' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -100.45 -35.05 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.161 179.833 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -120.56 145.33 47.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.634 HG13 HG21 ' A' ' 69' ' ' THR . 50.9 mt -137.77 110.49 7.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.127 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.481 ' ND2' ' O ' ' A' ' 80' ' ' LEU . 34.2 m-20 53.24 39.82 30.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 70.73 33.59 66.68 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.497 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -133.32 124.05 26.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.873 0.368 . . . . 0.0 110.837 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 79.3 p -56.68 120.94 8.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.904 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.639 ' HB ' HD12 ' A' ' 38' ' ' LEU . 12.2 p -94.55 51.85 1.47 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.138 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -106.12 -33.78 7.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.849 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.403 ' C ' ' HG3' ' A' ' 32' ' ' ARG . 5.9 t70 -125.0 44.99 2.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 4.9 mtm -126.44 141.16 51.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 40.7 p -91.87 154.67 18.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.468 ' CE1' ' HA ' ' A' ' 29' ' ' ARG . 9.5 t-160 -40.46 -33.09 0.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.83 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.23 -54.96 21.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.08 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -48.75 -47.95 41.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.865 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.28 -47.76 82.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.108 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.449 ' HA ' HD12 ' A' ' 81' ' ' ILE . 2.8 mm -62.45 -17.95 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.083 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -93.72 -33.05 13.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.481 ' O ' ' ND2' ' A' ' 65' ' ' ASN . 24.9 mt -68.85 -35.58 77.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.449 HD12 ' HA ' ' A' ' 78' ' ' ILE . 21.3 mt -62.56 -35.5 70.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -97.08 -12.76 22.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.5 t -74.03 -34.87 64.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -70.05 -42.53 67.84 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.474 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 134.94 -131.88 6.04 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.506 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 19' ' ' LYS . 49.0 mtt180 -90.68 -18.36 25.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.756 0.312 . . . . 0.0 110.869 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.473 ' CZ ' ' HB2' ' A' ' 87' ' ' ARG . 21.4 mtm105 -111.55 123.84 51.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.985 HG12 ' CE2' ' A' ' 24' ' ' PHE . 10.9 p -122.39 144.73 30.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.404 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 17.0 ttm180 -139.04 114.13 9.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.851 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.686 HD23 HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -127.8 147.71 50.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.953 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.466 HD23 ' N ' ' A' ' 92' ' ' LEU . 3.2 tt -88.43 115.39 25.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.89 HD21 ' CB ' ' A' ' 59' ' ' ASP . 10.2 tp -117.71 148.51 41.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.939 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.679 ' HD3' HD12 ' A' ' 62' ' ' ILE . 2.2 ptmt -115.03 128.72 56.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.474 ' HD3' ' N ' ' A' ' 95' ' ' GLY . 0.0 OUTLIER -101.9 154.9 18.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.474 ' N ' ' HD3' ' A' ' 94' ' ' ARG . . . 89.01 -14.64 60.01 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.478 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.541 ' HA ' ' CE2' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -80.64 -25.97 37.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.836 0.351 . . . . 0.0 111.15 -179.864 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -112.75 -115.06 3.33 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.507 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 70.9 p -146.85 160.19 42.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.937 0.399 . . . . 0.0 110.883 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -176.77 -169.69 38.38 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.508 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 116.36 4.52 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.678 2.252 . . . . 0.0 112.364 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.9 t -74.37 81.18 1.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 35.9 p -165.68 133.86 3.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.8 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.502 -179.988 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.8 t -72.32 83.88 1.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.858 0.361 . . . . 0.0 110.868 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.1 p -100.34 113.36 26.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.878 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.91 167.41 18.81 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.512 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.3 t -94.63 94.94 8.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.841 0.353 . . . . 0.0 110.868 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.3 m -102.94 127.88 49.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.869 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.15 -116.53 2.47 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.474 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -114.11 24.26 12.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.766 0.317 . . . . 0.0 110.914 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.425 ' C ' ' CD1' ' A' ' 10' ' ' PHE . 0.6 OUTLIER -60.03 -175.4 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.849 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.425 ' CD1' ' C ' ' A' ' 9' ' ' ASP . 0.1 OUTLIER -127.07 -174.01 3.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 -179.909 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.4 ' O ' ' OD1' ' A' ' 11' ' ' ASP . 0.5 OUTLIER -38.53 126.89 1.46 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.901 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -94.44 85.04 4.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.625 ' CD1' ' O ' ' A' ' 92' ' ' LEU . 30.3 p90 -107.81 157.16 18.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.847 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 76.6 p -100.84 155.38 17.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 85.3 t -110.55 142.55 22.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -135.81 114.54 11.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.3 mtm -150.3 174.72 12.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -119.42 175.07 6.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 86' ' ' ARG . 26.2 ttmt -84.9 159.59 20.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -118.33 -125.4 3.49 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.464 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.88 -56.63 3.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.856 0.36 . . . . 0.0 111.088 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.8 mtmm -115.89 30.97 7.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.95 -165.42 20.17 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.461 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.952 ' CE2' HG12 ' A' ' 88' ' ' VAL . 55.4 m-85 -81.45 40.67 0.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.91 0.386 . . . . 0.0 110.901 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.467 ' C ' ' O ' ' A' ' 24' ' ' PHE . . . 31.21 40.11 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.506 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.654 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -153.04 143.62 22.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.9 0.381 . . . . 0.0 110.857 -179.881 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 46.6 t -118.99 164.37 15.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.808 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.402 ' O ' ' NE2' ' A' ' 74' ' ' HIS . 0.7 OUTLIER -124.06 169.21 15.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.104 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.583 ' HA ' ' CE1' ' A' ' 74' ' ' HIS . 1.2 ptp180 -148.25 156.02 42.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.63 -172.48 53.44 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 138.37 171.08 12.04 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.527 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.8 mmm180 -55.5 -17.58 5.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.765 0.317 . . . . 0.0 110.837 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.496 ' N ' HG22 ' A' ' 73' ' ' THR . 5.1 tp10 -72.87 -32.52 65.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.417 ' C ' ' HD2' ' A' ' 35' ' ' LYS . 16.7 m-85 -108.92 6.29 25.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.417 ' HD2' ' C ' ' A' ' 34' ' ' TYR . 8.3 mptt 64.55 41.32 5.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.925 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 2.7 ptm -147.92 165.32 31.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.528 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 3.8 m-20 -72.54 170.98 13.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.854 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.891 HD12 ' HB ' ' A' ' 69' ' ' THR . 10.5 mt -95.59 118.15 31.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.946 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.528 ' CE1' ' O ' ' A' ' 37' ' ' ASP . 1.4 m-85 -117.34 167.78 10.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 86.6 t -82.56 100.13 6.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.128 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.516 HD13 ' C ' ' A' ' 41' ' ' LEU . 3.3 tm? -49.17 -65.3 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.472 ' HD3' ' N ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -147.42 -177.82 5.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.517 HD11 ' HA ' ' A' ' 56' ' ' ARG . 10.8 mt -134.74 147.61 50.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.958 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -88.34 120.04 29.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.068 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.836 ' HA ' HD13 ' A' ' 50' ' ' ILE . 12.7 pt-20 -60.84 -24.45 65.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -116.06 23.85 11.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -104.77 168.42 16.03 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.452 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -26.35 27.77 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.727 2.285 . . . . 0.0 112.387 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 52' ' ' ASN . . . -65.29 -67.05 0.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.137 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.836 HD13 ' HA ' ' A' ' 45' ' ' GLU . 4.5 tt -44.75 -21.65 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 51.8 mtp85 -87.08 -33.29 19.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.825 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 49' ' ' ALA . 0.4 OUTLIER -56.77 -57.54 12.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.918 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.502 ' O ' ' N ' ' A' ' 55' ' ' MET . . . 96.41 -53.53 1.53 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.469 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.45 ' O ' ' CZ ' ' A' ' 13' ' ' PHE . 14.5 mtp180 -36.37 -29.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.779 0.323 . . . . 0.0 110.863 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.502 ' N ' ' O ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -123.09 161.94 23.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.517 ' HA ' HD11 ' A' ' 43' ' ' LEU . 1.3 mpp_? -155.89 -175.19 5.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.861 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 42.7 t -86.93 135.17 25.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.151 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 99.47 7.41 54.07 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.48 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.772 ' CB ' HD21 ' A' ' 92' ' ' LEU . 70.0 m-20 -90.34 157.24 17.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.78 0.324 . . . . 0.0 110.85 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.501 ' NE2' ' O ' ' A' ' 61' ' ' ILE . 3.6 tm0? -109.07 109.55 20.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.501 ' O ' ' NE2' ' A' ' 60' ' ' GLN . 8.0 mt -82.25 136.23 23.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.116 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.765 HD11 ' HD2' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -116.85 -26.65 2.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.163 179.855 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.409 ' HA ' HG23 ' A' ' 69' ' ' THR . 5.0 tp10 -130.64 135.27 47.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 50.3 mt -132.34 123.51 50.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.099 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.422 ' ND2' ' O ' ' A' ' 80' ' ' LEU . 51.5 m-20 47.63 33.75 3.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.7 32.14 51.42 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.511 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -128.26 137.97 52.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.845 0.355 . . . . 0.0 110.921 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.2 m -67.9 100.24 0.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.891 ' HB ' HD12 ' A' ' 38' ' ' LEU . 17.8 p -66.53 -2.8 5.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.137 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.3 ttt180 -71.31 -22.01 61.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -128.36 52.14 1.93 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 5.5 mtm -147.08 146.21 29.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.496 HG22 ' N ' ' A' ' 33' ' ' GLU . 49.1 p -91.88 166.9 12.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.167 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.583 ' CE1' ' HA ' ' A' ' 29' ' ' ARG . 9.3 t-160 -53.83 -24.02 14.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.938 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.03 -51.39 16.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.074 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -48.75 -54.77 13.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.78 -50.06 64.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.088 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.535 ' HA ' HD12 ' A' ' 81' ' ' ILE . 2.8 mm -60.19 -17.77 14.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.92 -33.62 12.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.422 ' O ' ' ND2' ' A' ' 65' ' ' ASN . 33.8 mt -69.78 -38.99 76.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.952 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.535 HD12 ' HA ' ' A' ' 78' ' ' ILE . 12.5 mt -58.71 -32.47 46.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.145 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -97.11 -14.88 21.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.4 t -78.78 -31.75 46.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -70.39 -34.59 68.61 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.521 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 127.37 -127.94 6.0 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.483 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 19' ' ' LYS . 18.8 mtt-85 -96.43 -17.98 20.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.787 0.327 . . . . 0.0 110.889 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 26.1 mtp85 -111.85 127.55 55.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.952 HG12 ' CE2' ' A' ' 24' ' ' PHE . 14.3 p -123.41 140.35 47.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.159 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.406 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 5.5 ttp180 -133.68 121.54 22.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.62 HD23 HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -136.81 149.2 47.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.75 HD23 ' N ' ' A' ' 92' ' ' LEU . 3.2 tt -82.6 129.04 34.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.966 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.772 HD21 ' CB ' ' A' ' 59' ' ' ASP . 11.0 tp -141.77 151.75 43.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.939 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.765 ' HD2' HD11 ' A' ' 62' ' ' ILE . 0.6 OUTLIER -121.91 129.18 52.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.839 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.404 ' HD3' ' C ' ' A' ' 95' ' ' GLY . 0.0 OUTLIER -72.77 146.18 46.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.404 ' C ' ' HD3' ' A' ' 94' ' ' ARG . . . -83.57 79.79 1.88 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.475 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 10.1 t -110.2 -8.26 14.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.842 0.353 . . . . 0.0 111.139 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 91.89 -179.84 41.42 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.516 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.0 m -89.43 42.36 1.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.916 0.388 . . . . 0.0 110.839 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 41.93 70.87 0.41 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.481 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 127.72 14.93 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.672 2.248 . . . . 0.0 112.313 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 83.1 p -110.79 83.67 1.8 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.874 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 19.0 t -159.93 147.83 16.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.82 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.52 179.996 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.4 m -100.59 41.4 1.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.875 0.369 . . . . 0.0 110.827 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.2 m -119.92 165.3 14.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.879 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.78 -40.46 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.483 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t 49.53 44.3 24.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.908 0.385 . . . . 0.0 110.866 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t 65.06 47.6 2.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.869 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.29 125.33 1.6 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.471 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -123.49 105.4 9.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.833 0.349 . . . . 0.0 110.939 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.48 169.95 13.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.594 ' CD2' ' HD3' ' A' ' 93' ' ' LYS . 1.3 m-85 -126.8 -174.76 3.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -42.36 103.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -79.89 92.53 5.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.955 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.544 ' CE1' ' O ' ' A' ' 54' ' ' ARG . 18.4 p90 -107.66 156.71 18.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.844 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 32.2 p -101.07 158.99 15.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.114 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 39.4 t -113.98 143.35 23.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.145 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -135.62 114.52 12.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.3 mtm -149.6 173.25 13.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -124.01 171.58 9.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.523 ' HE2' ' CD2' ' A' ' 24' ' ' PHE . 9.7 ttmt -84.22 144.99 28.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.922 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -109.81 -140.69 8.83 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.475 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.77 -53.44 11.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.813 0.339 . . . . 0.0 111.067 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.1 mmtt -106.82 28.67 7.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 110.2 -176.9 19.41 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.454 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 1.13 ' CE1' HG12 ' A' ' 88' ' ' VAL . 69.5 m-85 -54.03 -21.23 7.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.899 0.381 . . . . 0.0 110.894 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.43 39.21 9.16 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.611 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.4 OUTLIER -152.78 147.07 25.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.873 0.368 . . . . 0.0 110.884 -179.911 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.2 t -119.68 164.04 16.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.415 HG22 ' CD1' ' A' ' 61' ' ' ILE . 0.7 OUTLIER -126.1 170.2 16.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.454 ' HD2' ' N ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -149.76 167.42 26.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.827 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.454 ' N ' ' HD2' ' A' ' 29' ' ' ARG . . . 74.27 -169.93 53.71 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.473 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 131.74 168.68 12.17 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.438 ' HG3' ' C ' ' A' ' 71' ' ' ASP . 9.7 mmm180 -49.41 -27.25 3.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.767 0.318 . . . . 0.0 110.85 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.498 ' OE1' ' CZ ' ' A' ' 34' ' ' TYR . 4.4 tt0 -61.93 -36.06 80.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.498 ' CZ ' ' OE1' ' A' ' 33' ' ' GLU . 1.9 m-85 -110.59 11.75 22.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.6 mptt 54.44 52.73 11.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.886 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.435 ' CE ' ' CD ' ' A' ' 29' ' ' ARG . 3.6 ptm -155.67 161.61 40.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.521 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . 2.8 m-20 -66.0 171.04 4.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.7 mt -97.42 123.86 41.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.521 ' CZ ' ' HB2' ' A' ' 37' ' ' ASP . 2.4 m-85 -124.58 163.81 21.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 85.1 t -79.15 100.93 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.052 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.465 HD13 ' C ' ' A' ' 41' ' ' LEU . 0.5 OUTLIER -49.06 -66.87 0.33 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.888 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.473 ' HG2' ' N ' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -152.3 149.26 28.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.854 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.728 HD11 ' HA ' ' A' ' 56' ' ' ARG . 10.8 mt -98.48 151.18 20.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -91.16 113.33 25.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.096 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.878 ' HA ' HD13 ' A' ' 50' ' ' ILE . 11.9 pt-20 -58.32 -26.08 62.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -107.25 25.65 11.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.42 ' O ' HG22 ' A' ' 50' ' ' ILE . . . -114.88 163.56 12.17 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.539 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -22.26 32.28 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.696 2.264 . . . . 0.0 112.374 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.05 -58.05 6.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.878 HD13 ' HA ' ' A' ' 45' ' ' GLU . 8.4 tt -52.67 -15.63 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 77.7 mtt180 -92.07 -26.78 18.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -61.77 -60.2 4.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.485 ' O ' ' N ' ' A' ' 55' ' ' MET . . . 100.29 -54.01 0.91 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.544 ' O ' ' CE1' ' A' ' 13' ' ' PHE . 21.2 mmt180 -36.48 -30.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.85 0.357 . . . . 0.0 110.93 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.554 ' HB2' HD22 ' A' ' 92' ' ' LEU . 3.2 ptm -128.99 143.51 50.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.728 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -141.15 171.41 14.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.433 HG12 ' H ' ' A' ' 57' ' ' VAL . 0.2 OUTLIER -78.12 122.33 32.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 117.71 0.93 17.72 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.513 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.856 ' HB2' HD21 ' A' ' 92' ' ' LEU . 1.1 m-20 -89.51 -177.02 5.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 110.875 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 61' ' ' ILE . 3.2 tm0? -123.37 116.77 23.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.498 ' O ' ' NE2' ' A' ' 60' ' ' GLN . 6.7 mt -86.87 121.36 37.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.163 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.557 ' N ' HD13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -104.98 -19.91 6.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.099 179.903 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.692 ' HA ' HG23 ' A' ' 69' ' ' THR . 15.4 tp10 -136.75 155.5 49.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.834 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.615 HG13 HG21 ' A' ' 69' ' ' THR . 72.3 mt -147.72 115.13 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.132 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.3 m-20 50.08 47.73 23.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 57.33 27.02 57.46 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -120.43 102.84 8.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.868 0.366 . . . . 0.0 110.924 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 52.0 m -38.09 109.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.825 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.692 HG23 ' HA ' ' A' ' 63' ' ' GLU . 19.3 p -75.56 54.83 0.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.197 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -107.86 135.08 49.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.438 ' C ' ' HG3' ' A' ' 32' ' ' ARG . 4.7 m-20 55.16 34.19 22.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 5.9 mtm -105.64 149.5 26.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 76' ' ' ARG . 53.0 p -100.77 147.74 25.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 17.7 t-160 -38.51 -36.95 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.827 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.71 -46.67 87.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 73' ' ' THR . 8.0 tpt180 -53.08 -64.86 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -46.35 -38.51 8.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.088 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.8 mm -62.58 -31.3 51.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 76' ' ' ARG . 1.5 pt-20 -84.64 -28.19 26.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 46.9 mt -65.94 -38.88 89.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 20.4 mt -62.83 -30.29 49.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.167 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -97.32 -16.07 20.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.4 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 7.8 t -75.41 -34.22 61.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -68.28 -42.93 81.57 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.481 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 129.08 -140.69 11.91 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.454 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.469 ' O ' ' N ' ' A' ' 19' ' ' LYS . 15.6 mtt-85 -78.27 -25.23 46.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.863 0.363 . . . . 0.0 110.928 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 42.6 mtm180 -109.96 123.13 49.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.825 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 1.13 HG12 ' CE1' ' A' ' 24' ' ' PHE . 9.2 p -120.35 137.34 54.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.148 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 26.5 ttt180 -131.5 111.91 12.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.745 HD23 HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -124.83 145.71 49.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.474 ' CB ' ' HB3' ' A' ' 63' ' ' GLU . 2.0 tt -86.37 108.99 18.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.945 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.856 HD21 ' HB2' ' A' ' 59' ' ' ASP . 10.8 tp -105.57 156.14 18.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.594 ' HD3' ' CD2' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -126.25 128.22 46.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.817 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 27.4 tpt180 -97.77 129.79 44.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.575 ' HA2' ' CD2' ' A' ' 10' ' ' PHE . . . -88.78 47.32 3.4 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.455 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 8.8 t -74.05 -12.64 60.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.821 0.343 . . . . 0.0 111.145 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -76.95 175.66 53.69 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.543 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 99' ' ' GLY . 6.7 p -88.19 5.54 41.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.915 0.388 . . . . 0.0 110.889 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 98' ' ' SER . . . 37.16 -98.68 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.48 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 136.95 34.22 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.699 2.266 . . . . 0.0 112.335 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 50.4 m -81.89 42.95 0.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.859 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 70.1 p -99.05 155.14 17.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.828 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.501 -179.967 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.3 m -138.13 138.04 38.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.917 0.389 . . . . 0.0 110.8 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.6 p -54.35 96.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.852 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.72 -177.15 32.99 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.466 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.0 p -126.59 154.86 43.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.889 0.376 . . . . 0.0 110.895 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 7' ' ' GLY . 15.2 m -131.56 108.48 9.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.833 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 35.13 79.53 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.459 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -86.03 34.9 0.62 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.82 0.343 . . . . 0.0 110.925 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.596 ' CG ' ' CZ ' ' A' ' 12' ' ' TYR . 1.1 m-20 -111.44 171.15 7.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.584 ' CE1' ' HE2' ' A' ' 93' ' ' LYS . 50.5 p90 -114.67 -13.67 12.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -172.75 114.52 0.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.596 ' CZ ' ' CG ' ' A' ' 9' ' ' ASP . 1.9 m-30 -116.66 75.48 0.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.586 ' CD1' ' O ' ' A' ' 92' ' ' LEU . 19.6 p90 -108.08 151.29 26.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.882 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 68.1 p -94.23 159.71 15.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.163 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.2 t -116.87 149.54 19.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.174 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -135.51 117.23 15.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.7 mtm -151.57 171.78 17.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.844 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.47 ' O ' ' CD1' ' A' ' 24' ' ' PHE . 4.8 mt-10 -122.82 173.92 7.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.582 ' HE2' ' CE2' ' A' ' 24' ' ' PHE . 1.5 ttmm -82.45 153.45 25.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -122.68 -162.29 11.49 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.489 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -52.42 -51.86 56.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.863 0.363 . . . . 0.0 111.108 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.1 mmtm -111.32 30.62 6.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 105.15 -179.39 23.88 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 1.192 ' CE1' HG12 ' A' ' 88' ' ' VAL . 74.7 m-85 -51.56 -16.73 0.66 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.908 0.385 . . . . 0.0 110.868 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.89 44.28 38.11 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.501 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.634 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -153.31 132.72 12.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.853 0.359 . . . . 0.0 110.849 -179.856 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 31.7 t -106.81 161.22 14.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -125.54 169.8 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.1 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.559 ' HA ' ' CE1' ' A' ' 74' ' ' HIS . 1.8 ptp180 -149.53 162.97 39.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.837 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.31 -173.01 54.17 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.488 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 131.7 175.66 14.09 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.465 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 -57.21 -12.41 2.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.814 0.34 . . . . 0.0 110.861 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.475 ' CG ' ' HB ' ' A' ' 73' ' ' THR . 19.0 mt-10 -76.75 -28.9 55.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -118.17 6.92 12.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.9 mmmm 61.53 49.04 5.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.889 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.2 ptm -153.7 163.52 39.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.582 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 0.8 OUTLIER -68.31 171.12 7.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.561 HD12 ' HB ' ' A' ' 69' ' ' THR . 12.4 mt -95.4 117.05 29.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.582 ' CE1' ' O ' ' A' ' 37' ' ' ASP . 0.7 OUTLIER -116.75 168.17 10.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.4 t -82.13 106.57 13.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.131 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.561 HD13 ' C ' ' A' ' 41' ' ' LEU . 2.7 tm? -58.64 -65.23 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.458 ' HG2' ' N ' ' A' ' 43' ' ' LEU . 0.8 OUTLIER -149.97 150.46 31.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.696 HD11 ' HA ' ' A' ' 56' ' ' ARG . 12.4 mt -102.87 151.21 22.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.404 ' HB3' ' HA3' ' A' ' 47' ' ' GLY . . . -87.52 114.46 24.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.094 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.808 ' HA ' HD13 ' A' ' 50' ' ' ILE . 2.5 pp20? -54.61 -41.05 69.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -101.53 19.07 18.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.404 ' HA3' ' HB3' ' A' ' 44' ' ' ALA . . . -100.29 164.06 19.12 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.476 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -18.94 36.66 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.67 2.247 . . . . 0.0 112.346 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.42 -62.3 1.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.808 HD13 ' HA ' ' A' ' 45' ' ' GLU . 7.0 tt -51.2 -19.06 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.111 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -87.61 -27.32 22.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.04 -56.05 22.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.497 ' O ' ' CD ' ' A' ' 56' ' ' ARG . . . 95.19 -53.79 1.84 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.471 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.435 ' O ' ' CZ ' ' A' ' 13' ' ' PHE . 17.6 mmt85 -36.98 -29.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.75 0.31 . . . . 0.0 110.83 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.486 ' N ' ' O ' ' A' ' 53' ' ' GLY . 2.3 ptt? -127.64 137.7 52.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.696 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -134.67 -174.49 3.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.908 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 48.3 t -89.03 131.25 36.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.127 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 111.17 -7.32 28.91 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.482 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.848 ' HB2' HD21 ' A' ' 92' ' ' LEU . 1.3 m-20 -84.58 171.28 12.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.77 0.319 . . . . 0.0 110.887 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.629 HE21 ' N ' ' A' ' 61' ' ' ILE . 0.9 OUTLIER -117.8 124.5 48.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.629 ' N ' HE21 ' A' ' 60' ' ' GLN . 12.7 mt -95.61 119.89 44.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.635 ' N ' HD13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -98.38 -17.1 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.85 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.638 ' HA ' HG23 ' A' ' 69' ' ' THR . 7.6 tt0 -139.54 156.01 47.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.634 HG13 HG21 ' A' ' 69' ' ' THR . 89.7 mt -147.23 113.39 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.163 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.495 ' ND2' ' O ' ' A' ' 80' ' ' LEU . 24.5 m-20 57.88 44.43 19.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 66.3 32.03 80.81 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.478 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -131.72 125.52 32.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.882 0.372 . . . . 0.0 110.877 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 95.5 p -59.8 121.4 11.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.638 HG23 ' HA ' ' A' ' 63' ' ' GLU . 18.7 p -98.28 65.65 1.7 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.0 ptp180 -110.67 -34.08 6.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -129.12 50.89 2.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 4.9 mtm -124.3 143.74 50.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.475 ' HB ' ' CG ' ' A' ' 33' ' ' GLU . 9.7 p -91.71 143.65 26.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.559 ' CE1' ' HA ' ' A' ' 29' ' ' ARG . 11.1 t-160 -34.05 -37.4 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 73' ' ' THR . . . -60.0 -53.73 54.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.066 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' A' ' 73' ' ' THR . 9.6 tpp180 -48.38 -52.07 23.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.836 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -53.01 -50.96 63.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.422 HG22 ' O ' ' A' ' 78' ' ' ILE . 3.3 mm -57.17 -14.56 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.125 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.92 -41.97 8.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.495 ' O ' ' ND2' ' A' ' 65' ' ' ASN . 25.7 mt -59.62 -36.1 75.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 26.3 mt -62.64 -36.09 73.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.145 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.3 ptpt -96.43 -11.5 25.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.2 t -83.47 -28.38 28.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.838 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -71.79 -37.28 61.27 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.472 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 127.91 -137.38 9.74 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.492 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 19' ' ' LYS . 22.5 mtt-85 -86.34 -21.92 26.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.779 0.323 . . . . 0.0 110.868 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 58.4 mtt180 -114.22 122.85 48.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 1.192 HG12 ' CE1' ' A' ' 24' ' ' PHE . 7.7 p -118.74 143.74 28.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.171 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 21.9 ttm180 -137.26 112.45 9.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.669 HD23 HG22 ' A' ' 88' ' ' VAL . 0.1 OUTLIER -121.38 154.48 36.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.567 HD22 ' CG1' ' A' ' 62' ' ' ILE . 2.2 tt -91.28 111.2 22.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.916 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.848 HD21 ' HB2' ' A' ' 59' ' ' ASP . 11.4 tp -117.4 156.01 28.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.614 ' HD2' HD12 ' A' ' 62' ' ' ILE . 9.1 mtpt -108.05 128.83 55.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.462 ' HG3' ' N ' ' A' ' 95' ' ' GLY . 23.9 tpt180 -114.24 160.26 19.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.462 ' N ' ' HG3' ' A' ' 94' ' ' ARG . . . 104.18 -7.24 47.57 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.519 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.01 -38.22 16.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.821 0.343 . . . . 0.0 111.138 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 55.61 163.2 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.481 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 82.9 p -170.46 128.98 0.84 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.888 0.375 . . . . 0.0 110.835 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -123.42 173.34 16.37 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 91.47 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.694 2.263 . . . . 0.0 112.342 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 52.5 p -105.71 94.11 5.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 27.9 p -120.0 158.44 26.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.532 -179.996 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.7 p -95.51 126.58 40.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.892 0.377 . . . . 0.0 110.831 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -116.33 -63.69 1.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.838 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 37.57 89.0 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.497 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.9 t -131.27 141.41 49.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.848 0.356 . . . . 0.0 110.875 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.4 t -138.86 123.35 18.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.865 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.19 79.68 0.22 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.529 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -82.74 86.85 6.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.798 0.332 . . . . 0.0 110.945 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.406 ' CG ' ' CE2' ' A' ' 12' ' ' TYR . 0.3 OUTLIER -148.29 -175.77 5.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.47 ' CG ' ' HB ' ' A' ' 96' ' ' THR . 2.3 m-85 -92.45 -53.52 4.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.882 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -175.07 104.95 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.406 ' CE2' ' CG ' ' A' ' 9' ' ' ASP . 7.3 m-85 -79.31 80.16 5.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.954 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.605 ' CD1' ' O ' ' A' ' 92' ' ' LEU . 13.7 p90 -107.81 150.01 27.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.854 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 77.2 p -92.93 161.48 14.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.14 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 47.7 t -121.23 148.66 24.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.137 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -135.81 118.24 15.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.8 mtm -151.52 171.35 17.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.942 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.417 ' O ' ' CD2' ' A' ' 24' ' ' PHE . 5.1 mt-10 -118.62 174.44 6.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.497 ' HE2' ' CE1' ' A' ' 24' ' ' PHE . 18.3 ttmt -86.59 154.43 21.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -114.58 -119.65 3.39 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.511 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.87 -56.82 3.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.851 0.357 . . . . 0.0 111.098 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.9 mtmm -115.27 30.32 7.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.937 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 128.41 -166.55 20.92 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.461 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.87 ' CE2' HG12 ' A' ' 88' ' ' VAL . 46.4 m-85 -81.78 40.28 0.59 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.887 0.375 . . . . 0.0 110.872 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.48 ' C ' ' O ' ' A' ' 24' ' ' PHE . . . 30.98 41.15 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.659 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -150.78 137.8 19.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.901 0.382 . . . . 0.0 110.859 -179.88 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.9 t -116.71 159.22 22.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.838 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -119.98 167.34 13.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.178 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.96 164.96 29.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.17 -162.41 53.63 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.492 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 132.47 171.7 12.84 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.536 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.468 ' NE ' ' HA ' ' A' ' 32' ' ' ARG . 3.3 mmp_? -55.59 -29.97 60.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.785 0.326 . . . . 0.0 110.876 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -60.9 -37.85 83.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -102.86 17.29 24.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.964 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp 50.81 46.8 25.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.902 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.8 ptm -151.84 162.95 40.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.93 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.537 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 1.9 m-20 -72.03 171.21 12.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.794 HD12 ' HB ' ' A' ' 69' ' ' THR . 8.4 mt -94.81 124.53 38.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.537 ' CE1' ' O ' ' A' ' 37' ' ' ASP . 2.3 m-85 -123.4 167.26 14.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.7 t -78.59 98.69 2.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.131 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.563 HD13 ' C ' ' A' ' 41' ' ' LEU . 0.9 OUTLIER -51.31 -61.42 2.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.464 ' HG2' ' N ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -155.64 151.56 27.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.934 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.464 ' N ' ' HG2' ' A' ' 42' ' ' ARG . 10.3 mt -107.08 145.44 32.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -84.59 119.12 24.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.88 ' HA ' HD13 ' A' ' 50' ' ' ILE . 17.2 pt-20 -61.95 -27.08 68.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.935 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -111.91 27.71 9.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -112.02 169.94 13.37 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.494 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -28.26 25.56 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.728 2.285 . . . . 0.0 112.334 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 52' ' ' ASN . . . -61.95 -68.85 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.079 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.88 HD13 ' HA ' ' A' ' 45' ' ' GLU . 4.8 tt -42.92 -25.13 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.134 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 90.3 mtt-85 -82.65 -35.25 27.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.472 ' N ' ' O ' ' A' ' 49' ' ' ALA . 0.3 OUTLIER -55.8 -60.14 3.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.508 ' O ' ' N ' ' A' ' 55' ' ' MET . . . 97.97 -51.79 1.29 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.452 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.505 ' O ' ' CE2' ' A' ' 13' ' ' PHE . 74.7 mtt-85 -33.76 -33.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.784 0.326 . . . . 0.0 110.904 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.523 ' HB2' HD22 ' A' ' 92' ' ' LEU . 9.0 ptm -126.8 149.98 49.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.422 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -138.83 -175.18 4.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 79.7 t -85.38 144.38 9.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 95.26 -25.58 23.59 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.507 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.905 ' CB ' HD21 ' A' ' 92' ' ' LEU . 30.9 m-20 -56.15 173.84 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.786 0.327 . . . . 0.0 110.868 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.7 tm0? -123.21 116.57 23.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.556 HG12 HD13 ' A' ' 92' ' ' LEU . 5.3 mt -86.64 130.15 37.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.489 ' N ' HD13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -107.82 -21.46 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.129 179.877 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.725 ' HA ' HG23 ' A' ' 69' ' ' THR . 16.0 tt0 -143.25 158.68 43.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.842 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.503 HG13 HG21 ' A' ' 69' ' ' THR . 78.1 mt -147.89 126.82 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.111 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 27.8 m-20 46.62 44.67 13.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.852 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 65.58 39.04 95.29 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.478 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -135.54 127.36 29.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.866 0.365 . . . . 0.0 110.876 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.4 m -64.54 109.01 1.83 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.794 ' HB ' HD12 ' A' ' 38' ' ' LEU . 24.8 p -82.09 50.31 1.55 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.433 ' HB2' ' NH1' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -102.05 -31.89 10.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -128.09 43.56 3.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 8.6 mtm -121.61 149.53 43.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 74' ' ' HIS . 30.9 p -99.44 149.0 23.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.161 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.406 ' C ' ' O ' ' A' ' 73' ' ' THR . 12.7 t-160 -36.72 -37.04 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.32 -53.55 55.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.082 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.503 ' NE ' HD21 ' A' ' 80' ' ' LEU . 6.6 tpt180 -49.05 -55.31 12.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -51.73 -46.44 64.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.131 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 3.4 mm -62.99 -18.97 22.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.146 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -93.43 -32.24 14.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.503 HD21 ' NE ' ' A' ' 76' ' ' ARG . 30.7 mt -66.71 -37.64 85.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.892 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 21.8 mt -62.0 -34.38 62.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 7.8 ptpt -96.82 -15.84 21.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.4 t -79.0 -22.85 44.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -77.81 -50.72 6.28 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.446 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 144.0 -131.87 4.62 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.497 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 19' ' ' LYS . 12.4 mtm-85 -90.58 -23.74 20.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.786 0.327 . . . . 0.0 110.828 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 67.1 mtp180 -112.18 125.61 54.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.87 HG12 ' CE2' ' A' ' 24' ' ' PHE . 14.9 p -120.13 138.09 51.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.114 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.403 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 9.2 ttp180 -131.38 113.4 13.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.633 HD23 HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -123.21 154.11 39.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.479 HD22 ' CG1' ' A' ' 62' ' ' ILE . 2.7 tt -91.15 110.07 21.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.905 HD21 ' CB ' ' A' ' 59' ' ' ASP . 9.8 tp -118.4 156.9 28.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.5 ' NZ ' HG21 ' A' ' 96' ' ' THR . 7.0 mtpm? -107.82 128.51 54.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.862 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.43 ' HG3' ' N ' ' A' ' 95' ' ' GLY . 16.4 tpt180 -91.41 159.44 15.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.43 ' N ' ' HG3' ' A' ' 94' ' ' ARG . . . 80.49 -37.88 2.26 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.444 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.5 HG21 ' NZ ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -69.41 -26.29 64.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.843 0.354 . . . . 0.0 111.105 -179.813 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -79.67 -141.79 2.48 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.461 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 37.0 m -71.83 117.41 13.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.9 0.381 . . . . 0.0 110.828 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -152.3 -128.46 1.38 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.476 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 82.57 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.682 2.255 . . . . 0.0 112.369 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 37.7 m -109.21 -48.29 3.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.829 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 10.2 t -41.83 143.2 0.56 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.823 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.477 -179.978 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.9 t -45.62 -48.27 14.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.833 0.349 . . . . 0.0 110.862 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.9 t -133.34 111.95 11.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.12 -90.5 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.472 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 m -103.08 157.93 16.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.866 0.365 . . . . 0.0 110.865 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.3 t -68.41 151.83 46.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.916 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.78 140.98 40.21 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.472 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -94.96 -44.42 7.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.821 0.343 . . . . 0.0 110.952 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.31 -175.5 0.48 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.459 ' CE2' ' HA2' ' A' ' 95' ' ' GLY . 52.7 m-85 -74.45 -176.06 2.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -59.78 100.4 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -73.88 83.52 1.69 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.503 ' CE1' ' O ' ' A' ' 54' ' ' ARG . 9.5 p90 -107.66 147.86 30.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.549 HG21 HH21 ' A' ' 89' ' ' ARG . 22.3 p -91.73 155.0 18.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.136 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 84.6 t -111.52 143.79 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -135.06 120.05 18.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.8 mtm -154.67 174.23 15.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.472 ' O ' ' CD2' ' A' ' 24' ' ' PHE . 4.4 mt-10 -118.85 174.05 6.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 86' ' ' ARG . 9.8 ttpt -93.04 143.48 26.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.943 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -98.47 -117.68 3.83 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.468 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.12 -56.93 2.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.844 0.354 . . . . 0.0 111.096 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -107.69 31.08 5.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.858 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 121.43 -169.31 14.46 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.472 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.94 ' CE2' HG12 ' A' ' 88' ' ' VAL . 40.7 m-85 -78.89 41.9 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.928 0.394 . . . . 0.0 110.889 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 24' ' ' PHE . . . 31.02 42.25 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.455 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.655 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -153.29 136.88 15.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.832 0.349 . . . . 0.0 110.857 -179.859 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.409 ' HB3' ' HB3' ' A' ' 41' ' ' LEU . 1.1 m -111.69 160.88 16.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -124.85 170.26 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.166 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.647 ' HB3' HD23 ' A' ' 41' ' ' LEU . 4.9 ptp85 -151.4 170.03 20.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.5 -172.47 48.12 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.473 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 130.4 171.68 12.97 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.533 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 -48.78 -28.11 3.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.75 0.31 . . . . 0.0 110.873 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -61.73 -38.51 88.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -108.32 13.11 25.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt 54.66 48.84 19.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.91 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.6 ptm -153.44 165.02 37.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.601 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 3.7 m-20 -70.19 171.34 9.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.616 HD12 ' HB ' ' A' ' 69' ' ' THR . 6.8 mt -96.56 122.64 39.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.601 ' CE1' ' O ' ' A' ' 37' ' ' ASP . 0.5 OUTLIER -124.84 166.76 15.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.925 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.2 t -76.39 110.99 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.114 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.647 HD23 ' HB3' ' A' ' 29' ' ' ARG . 1.9 tm? -67.69 -62.83 1.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.937 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.475 ' HG2' ' N ' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -146.51 147.97 31.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.516 HD12 HG23 ' A' ' 57' ' ' VAL . 9.3 mt -109.39 147.81 32.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -84.98 116.95 23.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.072 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.826 ' HA ' HD13 ' A' ' 50' ' ' ILE . 12.0 pt-20 -61.52 -25.96 67.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -116.31 26.8 9.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -110.13 172.52 15.75 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.502 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -32.13 19.37 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.671 2.247 . . . . 0.0 112.374 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 52' ' ' ASN . . . -58.71 -69.23 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.826 HD13 ' HA ' ' A' ' 45' ' ' GLU . 5.5 tt -44.75 -22.97 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.132 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 66.7 mtp85 -85.56 -33.21 21.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.849 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 49' ' ' ALA . 0.3 OUTLIER -56.32 -59.94 4.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 -179.895 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.501 ' O ' ' N ' ' A' ' 55' ' ' MET . . . 100.2 -53.21 0.95 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.503 ' O ' ' CE1' ' A' ' 13' ' ' PHE . 22.2 mmt85 -35.99 -30.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.82 0.343 . . . . 0.0 110.874 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.582 ' HB2' HD22 ' A' ' 92' ' ' LEU . 5.6 ptm -124.92 147.02 49.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.423 ' HD3' ' C ' ' A' ' 55' ' ' MET . 1.2 mpp_? -138.78 -179.06 5.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.516 HG23 HD12 ' A' ' 43' ' ' LEU . 98.8 t -85.94 121.24 37.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.117 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 115.07 -10.65 20.46 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.516 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.78 ' CB ' HD21 ' A' ' 92' ' ' LEU . 0.9 OUTLIER -74.62 166.21 23.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.736 0.303 . . . . 0.0 110.874 -179.919 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.502 ' NE2' ' O ' ' A' ' 61' ' ' ILE . 2.4 tm0? -113.54 115.54 28.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.532 ' HA ' HD12 ' A' ' 92' ' ' LEU . 6.5 mt -81.12 119.87 31.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.59 ' N ' HD13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -96.14 -28.1 3.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.873 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.582 ' HA ' HG23 ' A' ' 69' ' ' THR . 20.6 tt0 -134.07 155.08 50.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.739 HG13 HG21 ' A' ' 69' ' ' THR . 30.3 mt -143.24 119.2 4.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.159 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.489 ' ND2' ' O ' ' A' ' 80' ' ' LEU . 29.8 m-20 54.07 30.34 11.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.1 32.94 57.89 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.481 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -132.59 127.78 35.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.953 0.406 . . . . 0.0 110.84 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.4 m -51.1 126.65 17.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.846 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.739 HG21 HG13 ' A' ' 64' ' ' ILE . 18.4 p -101.58 50.0 0.86 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.119 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.8 ttt-85 -104.1 -39.59 6.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -116.21 47.91 1.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 5.3 mtm -128.32 148.37 50.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 46.0 p -101.24 152.41 20.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.423 ' CE1' ' HA ' ' A' ' 29' ' ' ARG . 18.5 t-160 -39.82 -37.61 0.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.94 -47.73 83.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.079 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.426 ' NH1' ' OE2' ' A' ' 79' ' ' GLU . 6.7 tpt180 -52.65 -64.6 0.77 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.836 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -46.78 -37.61 8.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 10.4 mm -64.81 -31.52 54.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.145 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.426 ' OE2' ' NH1' ' A' ' 76' ' ' ARG . 2.0 pt-20 -87.78 -23.43 24.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.489 ' O ' ' ND2' ' A' ' 65' ' ' ASN . 51.5 mt -69.11 -42.02 76.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.901 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.544 HD13 ' CZ ' ' A' ' 26' ' ' PHE . 21.7 mt -61.01 -32.46 52.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.078 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -97.57 -16.92 19.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 28.8 t -71.86 -36.86 70.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -68.45 -48.53 50.66 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.475 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 143.0 -129.35 3.74 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.473 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.466 ' O ' ' N ' ' A' ' 19' ' ' LYS . 38.7 mtt180 -94.52 -15.72 23.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.85 0.357 . . . . 0.0 110.895 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 32.6 mtt180 -113.36 124.14 51.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.94 HG12 ' CE2' ' A' ' 24' ' ' PHE . 11.6 p -122.42 147.06 26.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.099 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.549 HH21 HG21 ' A' ' 14' ' ' THR . 32.7 ttt180 -141.23 111.85 7.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.637 HD23 HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -125.66 147.93 49.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.539 HD23 ' N ' ' A' ' 92' ' ' LEU . 2.4 tt -85.66 120.77 27.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.78 HD21 ' CB ' ' A' ' 59' ' ' ASP . 7.0 tp -130.41 156.65 44.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 18.9 pttm -141.8 128.99 20.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.94 141.35 30.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.459 ' HA2' ' CE2' ' A' ' 10' ' ' PHE . . . -80.52 65.66 3.83 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.497 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.7 t -104.83 -15.27 15.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.784 0.326 . . . . 0.0 111.117 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 72.82 -76.46 0.84 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.505 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 36.7 p -118.13 -179.53 3.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.925 0.393 . . . . 0.0 110.868 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -58.23 -80.38 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.43 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 114.07 3.59 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.685 2.256 . . . . 0.0 112.327 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.4 m -118.26 152.32 35.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.815 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.4 t 56.93 45.86 20.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.818 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.48 -179.987 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.9 p -142.61 153.61 43.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.899 0.381 . . . . 0.0 110.859 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.8 m -73.65 148.22 43.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.06 -51.59 4.29 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.504 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.4 t -47.7 137.4 9.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.88 0.372 . . . . 0.0 110.857 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.7 p 42.64 38.47 1.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.35 58.22 0.63 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.497 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -120.64 -49.57 2.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.793 0.33 . . . . 0.0 110.936 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.437 ' HB2' ' CZ ' ' A' ' 12' ' ' TYR . 1.0 OUTLIER -83.65 -177.35 6.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 179.933 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -55.12 -178.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -58.82 119.69 7.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.437 ' CZ ' ' HB2' ' A' ' 9' ' ' ASP . 8.5 m-85 -90.37 85.6 6.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.609 ' CE2' ' O ' ' A' ' 92' ' ' LEU . 6.1 p90 -109.13 146.89 33.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.877 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 37.9 p -93.27 156.49 16.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.116 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.424 HG22 ' HE1' ' A' ' 13' ' ' PHE . 63.2 t -113.11 140.71 31.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -135.22 117.91 16.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.2 mtm -151.24 171.16 17.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -123.45 175.23 6.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.4 ' CB ' ' HG2' ' A' ' 86' ' ' ARG . 0.1 OUTLIER -72.9 160.18 32.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.916 179.944 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -131.19 -158.88 9.34 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.479 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -52.17 -56.42 14.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.843 0.354 . . . . 0.0 111.066 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.1 mtmm -112.47 28.3 8.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 115.12 -169.86 13.03 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.434 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.82 ' CE1' HG12 ' A' ' 88' ' ' VAL . 88.3 m-85 -58.87 -20.7 53.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.937 0.398 . . . . 0.0 110.905 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.82 39.99 27.25 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.472 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.649 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -153.11 136.23 15.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.871 0.367 . . . . 0.0 110.889 -179.829 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 27.2 t -110.55 172.22 6.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -136.2 170.31 18.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.498 ' HA ' ' CE1' ' A' ' 74' ' ' HIS . 3.1 ptp85 -149.14 169.7 20.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.99 -163.51 54.61 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.452 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 127.87 -179.99 16.17 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.508 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.431 ' NE ' ' HA ' ' A' ' 32' ' ' ARG . 3.9 mmp_? -60.67 -16.87 43.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.785 0.326 . . . . 0.0 110.86 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -71.62 -34.27 69.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -111.85 11.81 20.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.951 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm 55.95 49.68 15.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.878 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.3 ptm -152.49 163.18 40.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.523 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 17.9 m-20 -68.09 170.68 8.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.606 HD12 ' HB ' ' A' ' 69' ' ' THR . 9.5 mt -95.24 117.29 30.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.579 ' CE2' ' HG2' ' A' ' 60' ' ' GLN . 1.7 m-85 -117.79 164.84 14.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 27.1 t -78.89 116.76 23.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.121 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.53 HD13 ' C ' ' A' ' 41' ' ' LEU . 1.8 tm? -69.13 -55.64 10.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.461 ' HG2' ' N ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -158.5 150.42 21.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.719 HD11 ' HA ' ' A' ' 56' ' ' ARG . 10.2 mt -104.1 151.28 23.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.428 ' HB3' ' HA3' ' A' ' 47' ' ' GLY . . . -86.99 112.97 22.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.099 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.865 ' HA ' HD13 ' A' ' 50' ' ' ILE . 11.5 pt-20 -58.43 -19.99 41.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -118.83 10.23 12.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.843 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.428 ' HA3' ' HB3' ' A' ' 44' ' ' ALA . . . -93.75 164.22 26.36 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.54 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -16.78 37.6 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.673 2.248 . . . . 0.0 112.339 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.86 -57.96 3.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.079 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.865 HD13 ' HA ' ' A' ' 45' ' ' GLU . 6.8 tt -54.7 -17.1 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -91.59 -21.17 20.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.847 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.439 ' ND2' ' H ' ' A' ' 55' ' ' MET . 0.5 OUTLIER -64.94 -55.65 17.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 96.64 -53.46 1.48 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.524 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.601 ' O ' ' CZ ' ' A' ' 13' ' ' PHE . 2.5 mmp_? -41.38 -29.72 0.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.835 0.35 . . . . 0.0 110.852 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.501 ' HB2' HD22 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -128.1 139.81 52.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.719 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -135.13 176.68 8.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -86.74 120.88 36.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.122 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 118.17 8.11 10.74 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.515 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.729 ' HB2' HD21 ' A' ' 92' ' ' LEU . 0.7 OUTLIER -97.54 -175.28 3.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.757 0.313 . . . . 0.0 110.884 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.579 ' HG2' ' CE2' ' A' ' 39' ' ' TYR . 1.3 tm0? -122.61 123.07 40.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.916 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.626 HG12 HD13 ' A' ' 92' ' ' LEU . 9.9 mt -93.95 121.45 44.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.514 ' N ' HD13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -102.86 -19.91 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.122 179.857 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.461 ' HG2' ' N ' ' A' ' 64' ' ' ILE . 27.4 tt0 -138.2 153.65 49.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.57 HG13 HG21 ' A' ' 69' ' ' THR . 85.0 mt -145.9 123.46 4.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.126 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' A' ' 80' ' ' LEU . 27.6 m-20 45.17 52.2 8.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 55.08 40.85 75.77 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.485 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -143.19 124.27 14.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.815 0.341 . . . . 0.0 110.9 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 60.0 p -56.22 132.05 49.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.606 ' HB ' HD12 ' A' ' 38' ' ' LEU . 10.6 p -107.97 55.62 0.64 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.137 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 20.4 ptp180 -102.62 -40.6 6.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.6 p-10 -118.03 48.25 1.43 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.838 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 6.7 mtm -124.31 153.77 41.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 75' ' ' ALA . 22.3 p -103.24 145.9 29.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.167 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.498 ' CE1' ' HA ' ' A' ' 29' ' ' ARG . 13.2 t-160 -34.25 -33.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.823 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 73' ' ' THR . . . -64.54 -53.78 42.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.111 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.507 ' CZ ' HD21 ' A' ' 80' ' ' LEU . 9.0 tpt180 -47.36 -53.56 13.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.834 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -53.26 -48.21 68.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.088 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 3.2 mm -62.15 -17.99 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -93.96 -33.29 13.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.507 HD21 ' CZ ' ' A' ' 76' ' ' ARG . 28.7 mt -66.85 -38.39 86.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.927 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 22.6 mt -61.0 -32.3 52.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -97.16 -12.86 22.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 30.3 t -80.89 -31.54 35.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -72.74 -33.39 60.44 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.486 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 124.32 -128.86 6.95 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.485 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.448 ' O ' ' CE1' ' A' ' 24' ' ' PHE . 9.3 mtt-85 -95.71 -18.45 20.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.837 0.351 . . . . 0.0 110.929 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 28.6 mtt180 -109.55 122.88 48.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.82 HG12 ' CE1' ' A' ' 24' ' ' PHE . 12.5 p -124.7 134.78 65.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.157 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -128.48 121.05 28.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.491 HD23 HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -133.33 147.29 51.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.963 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.42 HD23 ' N ' ' A' ' 92' ' ' LEU . 1.3 tt -84.29 110.48 18.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.729 HD21 ' HB2' ' A' ' 59' ' ' ASP . 7.9 tp -122.77 141.01 52.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.449 ' NZ ' ' OE1' ' A' ' 60' ' ' GLN . 13.1 pttm -126.54 129.24 48.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 7.2 tpp85 -88.08 145.24 26.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -90.8 53.24 3.33 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.473 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 12.5 t -88.65 -4.91 58.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.878 0.37 . . . . 0.0 111.112 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -129.15 132.45 7.16 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.467 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.4 m -89.55 37.29 0.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.913 0.387 . . . . 0.0 110.853 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 141.04 136.23 3.28 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.523 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -91.46 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.713 2.275 . . . . 0.0 112.314 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 79.8 p -113.38 87.53 2.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 103' ' ' GLY . 9.1 t -133.91 146.55 50.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.862 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 102' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.492 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.4 m 40.61 42.36 1.34 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.864 0.364 . . . . 0.0 110.824 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.9 t -108.98 157.98 18.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.96 92.21 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.44 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 p -157.47 129.58 7.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.859 0.361 . . . . 0.0 110.877 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.9 t -58.57 116.96 4.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.96 84.1 0.11 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.52 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -124.51 34.69 4.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.833 0.349 . . . . 0.0 110.885 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.69 126.26 34.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -52.96 -61.95 1.96 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -165.3 121.95 1.45 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.598 ' CE1' ' HD3' ' A' ' 93' ' ' LYS . 4.9 m-85 -90.17 84.26 6.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.938 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.608 ' CD1' ' O ' ' A' ' 92' ' ' LEU . 16.8 p90 -107.8 159.99 16.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.854 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 70.7 p -102.64 160.13 14.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.173 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.469 HG21 ' HB3' ' A' ' 55' ' ' MET . 61.3 t -117.03 146.2 21.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.129 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -135.94 114.82 12.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.1 mtm -149.09 162.61 39.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -116.31 175.25 5.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.86 161.46 29.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.938 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -131.86 -149.91 6.47 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.528 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.68 -55.76 29.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.845 0.355 . . . . 0.0 111.088 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.0 mmtp -112.46 30.71 6.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 111.59 -168.71 12.88 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.465 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.863 ' CE1' HG12 ' A' ' 88' ' ' VAL . 89.9 m-85 -60.31 -17.39 42.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.876 0.369 . . . . 0.0 110.873 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.56 42.19 55.83 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.504 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.643 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -153.17 140.22 19.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.872 0.368 . . . . 0.0 110.865 -179.846 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.0 t -115.46 170.44 8.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.411 HG22 ' CD1' ' A' ' 61' ' ' ILE . 0.4 OUTLIER -135.15 169.83 20.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.111 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.447 ' HB3' HD23 ' A' ' 41' ' ' LEU . 6.5 ptp180 -146.13 171.21 15.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 66.16 -172.56 25.75 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.446 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 138.61 175.08 13.75 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.505 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.447 ' NE ' ' HA ' ' A' ' 32' ' ' ARG . 2.3 mmp_? -56.67 -14.77 3.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.765 0.317 . . . . 0.0 110.876 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -75.57 -34.13 60.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -110.34 13.52 22.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.84 48.91 17.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.3 ptm -153.79 161.59 41.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.486 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . 2.1 m-20 -66.72 170.73 6.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.886 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.86 HD12 ' HB ' ' A' ' 69' ' ' THR . 10.6 mt -98.19 117.92 33.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.601 ' CE2' ' HG2' ' A' ' 60' ' ' GLN . 2.5 m-85 -117.29 168.43 10.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.963 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 38.7 t -81.67 109.38 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.164 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.55 HD13 ' C ' ' A' ' 41' ' ' LEU . 1.3 tm? -61.26 -59.42 5.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.943 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.464 ' HG2' ' N ' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -157.55 151.01 23.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.592 HD11 ' HA ' ' A' ' 56' ' ' ARG . 12.2 mt -105.41 151.08 24.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.0 117.59 25.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.806 ' HA ' HD13 ' A' ' 50' ' ' ILE . 12.2 pt-20 -62.93 -19.42 64.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -118.57 22.0 12.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -109.41 168.57 13.33 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.469 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -26.17 27.76 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.729 2.286 . . . . 0.0 112.313 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.88 -64.8 0.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.11 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.806 HD13 ' HA ' ' A' ' 45' ' ' GLU . 7.0 tt -49.03 -23.99 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 67.5 mtp180 -82.48 -30.04 30.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -59.44 -60.4 3.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.517 ' O ' ' N ' ' A' ' 55' ' ' MET . . . 99.36 -53.7 1.01 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.494 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.455 ' O ' ' CZ ' ' A' ' 13' ' ' PHE . 60.2 mtt85 -34.32 -32.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.819 0.343 . . . . 0.0 110.872 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.548 ' HB2' HD22 ' A' ' 92' ' ' LEU . 9.9 ptm -128.77 144.46 51.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.592 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.6 OUTLIER -134.65 -174.27 3.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 99.2 t -86.47 140.49 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 96.1 -16.72 60.61 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.511 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.919 ' CB ' HD21 ' A' ' 92' ' ' LEU . 43.3 m-20 -63.12 -179.17 0.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.776 0.322 . . . . 0.0 110.859 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.601 ' HG2' ' CE2' ' A' ' 39' ' ' TYR . 2.1 tm0? -123.44 121.58 36.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.595 HG12 HD13 ' A' ' 92' ' ' LEU . 7.9 mt -96.6 130.18 45.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.124 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.731 ' N ' HD13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -115.47 -14.74 10.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.136 179.838 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.546 ' HA ' HG23 ' A' ' 69' ' ' THR . 12.0 tt0 -139.54 151.19 45.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.501 HD13 ' HB1' ' A' ' 77' ' ' ALA . 62.9 mt -148.04 110.65 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.147 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 35.7 m-20 59.07 26.27 14.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.48 37.97 22.41 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.463 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -123.75 157.39 34.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.88 0.371 . . . . 0.0 110.869 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.405 ' O ' ' HG3' ' A' ' 72' ' ' MET . 1.7 m -82.38 74.6 9.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.839 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.86 ' HB ' HD12 ' A' ' 38' ' ' LEU . 42.3 p -40.25 -28.54 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.16 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' A' ' 68' ' ' SER . 9.5 ptm180 -51.36 -43.87 61.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -105.99 51.91 0.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.405 ' HG3' ' O ' ' A' ' 68' ' ' SER . 4.2 mtm -146.21 145.3 30.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.2 p -91.45 158.11 16.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.402 ' O ' HG12 ' A' ' 78' ' ' ILE . 18.6 t-160 -48.5 -32.68 8.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.75 -50.04 68.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.098 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.482 ' NE ' HD21 ' A' ' 80' ' ' LEU . 8.0 tpt180 -53.33 -61.84 2.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.501 ' HB1' HD13 ' A' ' 64' ' ' ILE . . . -46.03 -29.81 1.61 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.087 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.402 HG12 ' O ' ' A' ' 74' ' ' HIS . 4.6 mm -77.01 -30.99 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.152 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 76' ' ' ARG . 3.3 pt-20 -84.94 -23.13 28.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.482 HD21 ' NE ' ' A' ' 76' ' ' ARG . 64.2 mt -71.4 -41.3 69.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 16.1 mt -59.86 -31.1 46.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 11.4 ptpt -97.16 -14.54 21.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 31.7 t -82.07 -31.88 30.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -70.19 -41.18 70.2 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.512 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 133.8 -128.09 4.84 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.471 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.514 ' O ' ' CE1' ' A' ' 24' ' ' PHE . 3.9 mtm-85 -97.87 -21.72 16.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.79 0.328 . . . . 0.0 110.886 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 53.3 mtm180 -109.5 122.8 48.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.863 HG12 ' CE1' ' A' ' 24' ' ' PHE . 10.4 p -123.78 143.81 35.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.148 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.409 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 21.9 ttm180 -135.95 115.25 12.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.617 HD23 HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -125.97 149.84 48.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.492 HD22 ' CG1' ' A' ' 62' ' ' ILE . 3.3 tt -86.94 112.73 22.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.933 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.919 HD21 ' CB ' ' A' ' 59' ' ' ASP . 11.9 tp -119.25 159.2 24.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.947 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.598 ' HD3' ' CE1' ' A' ' 12' ' ' TYR . 0.7 OUTLIER -103.77 128.58 51.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 179.825 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.447 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 7.0 tmm_? -101.47 121.93 42.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -92.78 79.33 1.13 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.476 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.6 t -75.78 -13.3 60.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.864 0.364 . . . . 0.0 111.196 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -121.03 107.6 1.26 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.502 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.0 m -94.44 39.96 1.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.869 0.366 . . . . 0.0 110.865 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 123.57 150.41 7.99 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.492 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -177.99 2.15 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.647 2.231 . . . . 0.0 112.356 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 22.3 t -68.71 -55.7 10.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.9 m -53.95 102.35 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.902 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.463 -179.967 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m 50.71 38.07 18.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.861 0.362 . . . . 0.0 110.836 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.5 p -68.16 -42.52 79.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.43 -146.04 4.48 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.524 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 6' ' ' SER . 92.7 p -99.44 42.85 1.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.861 0.363 . . . . 0.0 110.844 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 5' ' ' SER . 2.0 t -35.32 147.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.807 -179.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.09 132.14 10.93 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.503 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -105.23 115.44 30.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.771 0.319 . . . . 0.0 110.948 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -104.01 149.19 25.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.435 ' O ' ' CG ' ' A' ' 11' ' ' ASP . 2.1 m-85 -57.81 -60.49 3.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.435 ' CG ' ' O ' ' A' ' 10' ' ' PHE . 4.4 m-20 -174.97 115.03 0.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -69.65 83.16 0.43 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.965 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.619 ' CD2' ' O ' ' A' ' 92' ' ' LEU . 17.5 p90 -108.27 157.16 18.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 57.5 p -101.1 154.6 18.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.134 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.473 HG21 ' HB3' ' A' ' 55' ' ' MET . 69.0 t -109.0 143.39 19.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.152 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -136.18 106.18 6.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.442 ' HG3' HG12 ' A' ' 15' ' ' VAL . 3.2 mtm -141.95 179.79 6.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.541 ' C ' ' CD2' ' A' ' 24' ' ' PHE . 6.9 mt-10 -123.51 169.73 11.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.507 ' HE2' ' CE1' ' A' ' 24' ' ' PHE . 8.3 ttmm -73.9 157.25 36.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -132.72 -119.92 2.08 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.467 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.96 -57.01 2.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.836 0.351 . . . . 0.0 111.106 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.3 mmtt -103.14 31.2 4.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . 86.26 101.44 0.76 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.539 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.955 ' CE2' HG12 ' A' ' 88' ' ' VAL . 74.2 m-85 38.27 28.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.952 0.406 . . . . 0.0 110.925 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 23' ' ' GLY . . . 33.06 46.61 0.31 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.496 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.658 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -153.2 139.4 18.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.861 0.362 . . . . 0.0 110.894 -179.856 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.489 ' HB3' ' CD ' ' A' ' 42' ' ' ARG . 47.7 t -114.9 170.27 8.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.887 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -132.64 169.95 20.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.155 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.44 ' HB3' HD23 ' A' ' 41' ' ' LEU . 1.7 ptp180 -149.33 170.91 17.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 69.38 -163.67 51.15 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.472 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 127.25 163.22 11.38 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.458 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.422 ' NE ' ' HA ' ' A' ' 32' ' ' ARG . 4.0 mmp_? -43.93 -27.44 0.36 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.789 0.328 . . . . 0.0 110.879 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.463 ' CD ' ' O ' ' A' ' 33' ' ' GLU . 0.4 OUTLIER -60.19 -41.59 93.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.917 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.46 ' CD1' ' OE1' ' A' ' 33' ' ' GLU . 6.0 m-85 -104.87 15.94 26.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.959 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 45.1 mmtt 55.2 46.9 22.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.894 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.5 ptm -152.4 160.09 43.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.489 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 0.8 OUTLIER -65.92 170.8 5.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.73 HD12 ' HB ' ' A' ' 69' ' ' THR . 9.4 mt -96.13 119.2 34.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.581 ' CE2' ' HG2' ' A' ' 60' ' ' GLN . 2.0 m-85 -115.9 167.26 11.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 20.4 t -85.4 100.97 9.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.131 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.494 HD13 ' C ' ' A' ' 41' ' ' LEU . 1.1 tm? -46.88 -61.33 1.91 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.944 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.489 ' CD ' ' HB3' ' A' ' 27' ' ' SER . 0.0 OUTLIER -156.52 166.11 34.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.755 HD11 ' HA ' ' A' ' 56' ' ' ARG . 10.7 mt -115.78 150.2 37.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.956 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -88.22 115.76 25.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.094 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.87 ' HA ' HD13 ' A' ' 50' ' ' ILE . 1.9 pp20? -55.63 -28.35 54.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.428 ' O ' ' CG ' ' A' ' 46' ' ' ASP . 26.2 t70 -114.13 27.66 9.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -109.45 169.87 14.05 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.487 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -25.79 28.14 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.685 2.256 . . . . 0.0 112.337 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 52' ' ' ASN . . . -66.45 -67.46 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.117 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.87 HD13 ' HA ' ' A' ' 45' ' ' GLU . 6.6 tt -46.45 -23.52 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.071 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 56.5 mtp180 -87.38 -29.65 21.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 49' ' ' ALA . 0.3 OUTLIER -60.57 -60.28 4.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.501 ' O ' ' N ' ' A' ' 55' ' ' MET . . . 100.63 -54.07 0.87 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.482 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.565 ' O ' ' CE1' ' A' ' 13' ' ' PHE . 57.3 mtt-85 -35.2 -31.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.792 0.329 . . . . 0.0 110.837 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.501 ' N ' ' O ' ' A' ' 53' ' ' GLY . 4.8 ptm -132.88 145.19 50.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.755 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -141.15 164.34 30.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.908 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.432 HG12 ' H ' ' A' ' 57' ' ' VAL . 0.2 OUTLIER -69.34 133.66 31.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.128 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 105.38 12.41 27.01 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.479 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.778 ' CB ' HD21 ' A' ' 92' ' ' LEU . 1.1 m-20 -102.56 179.94 4.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.756 0.312 . . . . 0.0 110.873 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.581 ' HG2' ' CE2' ' A' ' 39' ' ' TYR . 0.9 OUTLIER -122.22 119.88 32.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.645 HG12 HD13 ' A' ' 92' ' ' LEU . 9.7 mt -93.88 123.99 46.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.136 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.621 ' N ' HD13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -101.1 -26.35 3.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 179.847 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.746 ' HA ' HG23 ' A' ' 69' ' ' THR . 33.9 tt0 -134.96 156.57 48.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.563 HG13 HG21 ' A' ' 69' ' ' THR . 82.4 mt -146.74 130.12 9.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.135 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.492 ' ND2' ' O ' ' A' ' 80' ' ' LEU . 2.0 m-20 48.66 41.66 18.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 66.47 27.85 73.37 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -130.07 128.96 42.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.873 0.368 . . . . 0.0 110.877 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 t -60.12 126.44 27.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.746 HG23 ' HA ' ' A' ' 63' ' ' GLU . 14.5 p -93.16 49.32 1.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.097 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.6 ttt180 -97.4 -40.1 8.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -119.41 51.34 1.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 5.2 mtm -131.11 145.56 52.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.485 ' O ' ' N ' ' A' ' 75' ' ' ALA . 17.2 p -100.81 148.71 24.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.441 ' C ' ' O ' ' A' ' 73' ' ' THR . 15.4 t-160 -34.65 -33.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 73' ' ' THR . . . -64.68 -54.25 34.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 73' ' ' THR . 8.9 tpp180 -48.93 -52.14 26.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.55 -46.71 66.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.071 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.447 HG22 ' O ' ' A' ' 78' ' ' ILE . 3.1 mm -63.7 -12.45 11.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.093 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 83' ' ' SER . 0.8 OUTLIER -95.43 -41.67 8.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.492 ' O ' ' ND2' ' A' ' 65' ' ' ASN . 61.4 mt -59.84 -37.7 79.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 23.4 mt -61.46 -34.21 60.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 5.1 ptpt -97.55 -17.71 19.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.956 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 79' ' ' GLU . 1.6 m -84.33 -13.47 52.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -86.39 -34.08 12.8 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.464 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 123.92 -141.23 13.35 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.492 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 19' ' ' LYS . 21.0 mtt180 -85.63 -21.31 28.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.781 0.324 . . . . 0.0 110.87 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -113.13 126.55 55.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.955 HG12 ' CE2' ' A' ' 24' ' ' PHE . 14.8 p -122.97 149.47 26.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.414 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 14.4 ttm180 -141.38 124.67 16.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.517 HD23 HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -137.17 148.46 46.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.516 HD23 ' N ' ' A' ' 92' ' ' LEU . 2.6 tt -83.39 117.08 22.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.924 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.778 HD21 ' CB ' ' A' ' 59' ' ' ASP . 7.7 tp -132.32 154.65 49.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.436 ' NZ ' HD12 ' A' ' 62' ' ' ILE . 4.2 mtmt -121.51 129.62 53.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.48 ' HD3' ' N ' ' A' ' 95' ' ' GLY . 1.5 tmt_? -89.54 130.64 35.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.868 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.48 ' N ' ' HD3' ' A' ' 94' ' ' ARG . . . -76.33 50.15 2.74 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.476 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 10.0 t -88.74 -26.37 21.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.822 0.344 . . . . 0.0 111.14 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -94.73 41.18 2.58 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.478 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.9 p -121.32 132.72 54.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.949 0.404 . . . . 0.0 110.848 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 64.0 -133.18 40.09 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.454 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 136.59 33.36 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.707 2.272 . . . . 0.0 112.305 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 38.7 t -83.89 40.38 0.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.838 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 50.7 m -140.18 143.03 35.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.447 179.986 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -86.54 42.08 0.98 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.904 0.383 . . . . 0.0 110.843 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.4 p -44.81 153.68 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.836 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -164.64 61.19 0.25 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.51 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 4' ' ' GLY . 2.6 t 37.49 36.57 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.838 0.352 . . . . 0.0 110.854 -179.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.7 m -113.56 83.39 1.84 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.819 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.17 -102.54 2.58 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.511 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.434 ' HA ' ' CE2' ' A' ' 12' ' ' TYR . 1.3 pt20 -66.66 115.03 6.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.778 0.323 . . . . 0.0 110.922 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -68.42 -75.39 0.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.819 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.441 ' CE1' ' NZ ' ' A' ' 93' ' ' LYS . 19.6 p90 -175.47 139.41 0.44 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 59.55 54.97 4.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.434 ' CE2' ' HA ' ' A' ' 8' ' ' GLN . 2.9 m-30 -88.89 94.49 9.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.971 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.537 ' CD1' ' O ' ' A' ' 92' ' ' LEU . 50.8 p90 -108.24 168.64 9.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 57.4 p -105.48 158.38 16.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.159 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 58.8 t -118.41 142.5 32.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -135.55 113.09 10.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.5 mtm -149.59 174.19 12.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -119.3 175.11 5.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 86' ' ' ARG . 21.2 ttmt -85.19 163.17 18.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -118.96 -123.19 3.17 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.5 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.25 -55.02 4.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.848 0.356 . . . . 0.0 111.101 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.29 -3.07 15.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.94 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 163.82 -162.04 34.76 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.492 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.951 ' CE2' HG12 ' A' ' 88' ' ' VAL . 50.3 m-85 -82.92 37.29 0.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.901 0.382 . . . . 0.0 110.916 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 24' ' ' PHE . . . 35.36 39.46 0.22 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.505 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.651 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -152.7 138.94 18.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.853 0.359 . . . . 0.0 110.864 -179.832 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.0 t -113.17 172.13 7.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -135.61 170.62 18.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.096 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.607 ' HB3' HD23 ' A' ' 41' ' ' LEU . 9.3 ptt180 -150.9 169.21 22.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.904 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.21 -171.3 55.12 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.496 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 131.65 172.72 13.15 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.456 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.426 ' HG3' ' C ' ' A' ' 71' ' ' ASP . 7.6 mmm180 -53.8 -22.4 9.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.756 0.312 . . . . 0.0 110.869 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -65.42 -35.68 81.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -109.37 3.76 21.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.938 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm 63.7 44.57 4.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.885 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.1 ptm -148.04 162.89 38.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.6 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 2.2 m-20 -67.26 171.02 6.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.0 mt -95.68 119.79 34.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.941 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.6 ' CE1' ' O ' ' A' ' 37' ' ' ASP . 0.5 OUTLIER -121.92 166.22 14.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.936 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 26.2 t -81.21 108.43 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.123 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.607 HD23 ' HB3' ' A' ' 29' ' ' ARG . 0.7 OUTLIER -57.74 -58.04 10.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.477 ' HG2' ' N ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -159.44 149.98 19.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.625 HD11 ' HA ' ' A' ' 56' ' ' ARG . 11.7 mt -103.0 151.24 22.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.956 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -86.36 117.81 25.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.764 ' HA ' HD13 ' A' ' 50' ' ' ILE . 13.0 pt-20 -59.56 -19.58 49.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -121.58 26.65 8.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -107.11 166.19 13.36 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.457 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -24.08 29.97 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.681 2.254 . . . . 0.0 112.359 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.59 -60.36 2.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.124 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.764 HD13 ' HA ' ' A' ' 45' ' ' GLU . 4.1 tt -52.1 -18.65 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 63.2 mtp85 -87.31 -25.58 23.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -64.57 -59.58 4.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.498 ' O ' ' CD ' ' A' ' 56' ' ' ARG . . . 102.69 -54.81 0.71 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.51 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.433 ' O ' ' CE2' ' A' ' 13' ' ' PHE . 54.1 mtt-85 -37.86 -34.56 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.821 0.343 . . . . 0.0 110.877 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 3.6 ptm -121.91 137.97 54.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.625 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -132.2 176.4 8.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.843 -179.904 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.407 HG12 HD12 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -85.77 123.47 39.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.148 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 117.37 -0.99 18.75 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.859 ' HB2' HD21 ' A' ' 92' ' ' LEU . 1.2 m-20 -88.68 170.26 10.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.78 0.324 . . . . 0.0 110.903 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.495 ' NE2' ' O ' ' A' ' 61' ' ' ILE . 9.2 tm0? -112.25 120.9 43.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.604 HG12 HD13 ' A' ' 92' ' ' LEU . 19.5 mt -89.72 129.83 40.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.465 ' N ' HD13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -112.81 -14.51 10.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.144 179.855 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.469 ' HB3' ' CB ' ' A' ' 91' ' ' LEU . 29.8 tt0 -140.34 158.22 44.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.581 HG13 HG21 ' A' ' 69' ' ' THR . 85.7 mt -146.21 134.3 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.134 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.502 ' ND2' ' O ' ' A' ' 80' ' ' LEU . 31.2 m-20 44.59 27.0 0.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.97 31.4 35.36 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 64' ' ' ILE . 3.2 pt-20 -131.1 141.3 50.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.831 0.348 . . . . 0.0 110.934 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.4 m -71.18 102.23 2.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.834 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.581 HG21 HG13 ' A' ' 64' ' ' ILE . 24.2 p -66.19 73.54 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.13 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 52.8 ttt180 -111.56 131.39 55.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.426 ' C ' ' HG3' ' A' ' 32' ' ' ARG . 12.4 m-20 52.97 46.36 26.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.433 ' HE2' ' HB ' ' A' ' 69' ' ' THR . 5.6 mtm -115.46 143.8 44.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 75' ' ' ALA . 81.9 p -92.37 147.5 22.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.172 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 18.8 t-160 -38.66 -27.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.864 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 73' ' ' THR . . . -69.38 -52.57 25.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -47.24 -51.73 17.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.06 -45.76 75.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.557 ' HA ' HD12 ' A' ' 81' ' ' ILE . 3.1 mm -64.6 -12.92 13.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -91.92 -42.06 10.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.502 ' O ' ' ND2' ' A' ' 65' ' ' ASN . 75.7 mt -62.67 -40.77 98.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.942 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.557 HD12 ' HA ' ' A' ' 78' ' ' ILE . 23.8 mt -55.85 -34.37 37.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -97.62 -16.59 19.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 179.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.3 t -77.36 -32.13 54.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -68.76 -40.77 85.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.496 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 127.71 -142.97 13.98 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.474 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.495 ' O ' ' N ' ' A' ' 19' ' ' LYS . 47.4 mtt180 -79.02 -18.78 52.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.853 0.358 . . . . 0.0 110.862 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 -115.08 128.03 55.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.951 HG12 ' CE2' ' A' ' 24' ' ' PHE . 13.7 p -124.28 146.93 29.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.466 ' O ' ' N ' ' A' ' 65' ' ' ASN . 12.5 ttm180 -141.29 121.89 14.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.543 HD23 HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -134.1 148.34 50.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.52 ' C ' HD23 ' A' ' 91' ' ' LEU . 4.0 tt -84.97 107.03 16.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.859 HD21 ' HB2' ' A' ' 59' ' ' ASP . 8.0 tp -114.74 152.1 32.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.441 ' NZ ' ' CE1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -134.5 129.52 35.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 179.876 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 32.3 tpt180 -109.69 124.96 52.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -80.07 52.46 4.26 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.485 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.489 HG23 ' N ' ' A' ' 97' ' ' GLY . 9.4 t -83.1 -44.58 14.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.837 0.351 . . . . 0.0 111.117 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.489 ' N ' HG23 ' A' ' 96' ' ' THR . . . -110.33 -108.58 3.12 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.493 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.7 t 51.74 28.87 5.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.907 0.384 . . . . 0.0 110.868 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 112.85 157.0 12.72 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.506 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 0.09 6.13 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.642 2.228 . . . . 0.0 112.352 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.4 t -44.72 -49.35 10.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.2 t -48.35 119.0 2.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.503 -179.996 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 3' ' ' SER . 5.0 m -109.95 167.88 9.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.909 0.385 . . . . 0.0 110.86 -179.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 2' ' ' SER . 16.5 t -36.28 -42.91 0.34 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.839 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.51 76.21 1.11 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.493 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.5 t -50.2 -53.69 26.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.827 0.346 . . . . 0.0 110.847 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.2 m -70.54 123.73 22.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.23 -114.12 0.23 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.491 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -125.16 34.56 4.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.789 0.328 . . . . 0.0 110.886 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -110.16 106.95 16.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -54.47 -57.45 11.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.912 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -168.23 119.63 0.82 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -78.71 83.03 4.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.608 ' CD1' ' O ' ' A' ' 92' ' ' LEU . 19.7 p90 -107.74 159.58 16.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 41.3 p -99.37 158.74 15.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.12 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 97.8 t -118.7 142.26 34.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -135.52 119.4 17.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.83 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.2 mtm -153.54 170.54 20.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.824 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -115.18 173.96 6.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.513 ' N ' ' O ' ' A' ' 86' ' ' ARG . 6.9 ttpp -101.6 137.39 39.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.923 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.15 -119.21 3.31 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.511 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.6 -57.03 2.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.846 0.355 . . . . 0.0 111.08 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.0 mtmm -94.99 30.36 2.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.482 ' HA2' ' CG ' ' A' ' 19' ' ' LYS . . . 106.39 -158.65 15.33 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.514 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.864 ' CE2' HG12 ' A' ' 88' ' ' VAL . 57.4 m-85 -81.92 26.08 0.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.9 0.381 . . . . 0.0 110.891 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 41.06 42.31 2.98 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.505 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.662 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -153.29 132.34 12.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.352 . . . . 0.0 110.878 -179.841 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.9 t -110.28 165.86 11.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -128.66 170.1 18.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.513 ' HB3' HD23 ' A' ' 41' ' ' LEU . 7.5 ptp85 -147.69 167.95 23.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.81 -169.09 54.94 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.476 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 131.35 164.57 11.21 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.468 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.0 mmm180 -48.2 -24.39 1.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.803 0.335 . . . . 0.0 110.855 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -65.98 -37.48 86.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -107.23 13.97 26.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm 53.9 50.43 16.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.913 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.4 ptm -154.94 162.84 40.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.81 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.59 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 0.2 OUTLIER -70.88 169.44 14.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 179.931 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.6 mt -93.19 120.7 33.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.59 ' CE1' ' O ' ' A' ' 37' ' ' ASP . 1.2 m-85 -124.34 166.97 15.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 48.2 t -79.83 113.66 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.108 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.538 HD13 ' C ' ' A' ' 41' ' ' LEU . 1.7 tm? -67.01 -55.81 12.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.464 ' HG2' ' N ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -158.37 150.35 21.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.614 HD11 ' HA ' ' A' ' 56' ' ' ARG . 11.5 mt -104.07 150.99 23.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -88.72 115.55 26.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.824 ' HA ' HD13 ' A' ' 50' ' ' ILE . 5.1 pt-20 -59.32 -24.35 63.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -119.17 32.86 5.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -117.21 169.77 13.24 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -22.26 32.56 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.661 2.241 . . . . 0.0 112.328 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.657 ' HB2' ' O ' ' A' ' 24' ' ' PHE . . . -68.99 -66.11 0.62 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.058 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.824 HD13 ' HA ' ' A' ' 45' ' ' GLU . 6.4 tt -48.83 -23.93 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.119 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 47.6 mtp180 -81.9 -29.62 32.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.402 ' ND2' ' H ' ' A' ' 55' ' ' MET . 0.4 OUTLIER -59.99 -55.2 36.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 55' ' ' MET . . . 93.2 -52.6 2.48 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.503 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.454 ' O ' ' CE2' ' A' ' 13' ' ' PHE . 21.2 mmt180 -38.93 -28.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.805 0.336 . . . . 0.0 110.836 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.532 ' HB2' HD22 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -127.81 142.09 51.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.614 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -140.13 -175.73 4.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.9 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 57.9 t -83.64 140.35 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.061 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 97.36 14.53 41.21 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.44 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.72 ' HB2' HD21 ' A' ' 92' ' ' LEU . 14.8 m-20 -103.62 173.29 6.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.757 0.313 . . . . 0.0 110.871 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.501 ' NE2' ' O ' ' A' ' 61' ' ' ILE . 7.3 tm0? -122.86 119.88 31.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.948 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.54 HG12 HD13 ' A' ' 92' ' ' LEU . 8.7 mt -87.16 125.28 40.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.674 ' N ' HD13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -102.02 -38.37 5.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.177 179.848 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.649 ' HA ' HG23 ' A' ' 69' ' ' THR . 24.8 tt0 -124.65 157.21 36.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.786 HG13 HG21 ' A' ' 69' ' ' THR . 93.7 mt -137.07 134.92 47.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.133 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 80' ' ' LEU . 29.0 m-20 41.07 25.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 64' ' ' ILE . . . 83.63 35.44 16.61 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.502 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.479 ' CD ' ' CD1' ' A' ' 80' ' ' LEU . 3.3 pt-20 -141.69 127.0 18.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.86 0.362 . . . . 0.0 110.879 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.4 m -47.36 142.65 3.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.786 HG21 HG13 ' A' ' 64' ' ' ILE . 7.5 p -120.83 52.23 1.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.153 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? -88.73 -65.42 1.02 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -96.5 63.48 2.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.46 ' HE2' ' HB ' ' A' ' 69' ' ' THR . 3.9 mtm -131.72 155.09 48.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 75' ' ' ALA . 45.1 p -108.57 147.87 31.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.147 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.443 ' CE1' ' HA ' ' A' ' 29' ' ' ARG . 13.7 t-160 -36.17 -31.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 73' ' ' THR . . . -67.18 -49.26 65.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 73' ' ' THR . 5.8 tpt180 -51.16 -52.15 46.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.921 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.14 -50.11 67.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.417 ' HA ' HD12 ' A' ' 81' ' ' ILE . 3.0 mm -59.41 -15.9 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.15 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 83' ' ' SER . 0.6 OUTLIER -90.77 -42.63 10.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.479 ' CD1' ' CD ' ' A' ' 67' ' ' GLU . 78.2 mt -60.62 -38.44 84.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.417 HD12 ' HA ' ' A' ' 78' ' ' ILE . 25.1 mt -61.16 -33.38 55.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.161 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -97.83 -18.69 18.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 79' ' ' GLU . 33.9 t -74.74 -34.13 62.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -69.72 -41.39 74.5 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.484 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 127.73 -138.88 10.73 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.542 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.513 ' O ' ' N ' ' A' ' 19' ' ' LYS . 28.0 mtt180 -82.86 -23.42 33.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.852 0.358 . . . . 0.0 110.914 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 46.7 mtp180 -109.74 123.09 48.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.864 HG12 ' CE2' ' A' ' 24' ' ' PHE . 12.9 p -123.6 148.73 27.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.426 ' O ' ' N ' ' A' ' 65' ' ' ASN . 14.1 ttm180 -140.91 113.74 8.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.849 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.612 HD23 HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -127.77 148.16 50.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.912 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.476 HD22 ' CG1' ' A' ' 62' ' ' ILE . 2.7 tt -85.41 112.01 20.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.72 HD21 ' HB2' ' A' ' 59' ' ' ASP . 8.9 tp -121.19 157.32 30.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.402 ' HG3' HD11 ' A' ' 62' ' ' ILE . 5.7 mtpt -118.25 129.06 55.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -108.74 141.62 40.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -82.53 31.31 2.99 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.515 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.2 t -69.49 -40.14 77.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.872 0.368 . . . . 0.0 111.111 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -50.06 -74.13 0.3 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.475 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.404 ' O ' ' HD3' ' A' ' 100' ' ' PRO . 71.5 m -94.01 96.0 9.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.97 0.414 . . . . 0.0 110.866 -179.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -100.38 99.99 2.1 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.453 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.404 ' HD3' ' O ' ' A' ' 98' ' ' SER . 53.8 Cg_endo -69.76 179.77 3.47 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.7 2.267 . . . . 0.0 112.317 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 32.7 m 63.77 41.01 7.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 73.4 m -135.87 136.77 40.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.841 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.522 -179.983 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.1 p -118.7 42.16 2.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.857 0.36 . . . . 0.0 110.852 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.6 t -123.58 86.97 2.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.47 104.75 3.19 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.482 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -37.71 111.79 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.876 0.369 . . . . 0.0 110.869 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.8 p -110.46 43.23 1.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.06 121.34 0.73 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.506 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -98.44 118.06 34.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.762 0.315 . . . . 0.0 110.939 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -159.22 135.56 9.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.471 ' CE2' ' NZ ' ' A' ' 93' ' ' LYS . 6.9 m-85 -75.97 -53.1 8.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -164.09 106.22 0.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -72.86 79.43 1.15 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.608 ' CD2' ' O ' ' A' ' 92' ' ' LEU . 26.6 p90 -108.01 152.16 24.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 76.5 p -97.0 164.29 12.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.125 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.404 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 35.3 t -123.85 146.13 29.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -135.75 117.44 14.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.7 mtm -149.42 176.98 10.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.501 ' C ' ' CD2' ' A' ' 24' ' ' PHE . 3.7 mt-10 -121.43 169.56 10.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.529 ' HE2' ' CE1' ' A' ' 24' ' ' PHE . 7.3 ttmm -74.99 155.7 37.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.942 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -130.82 -122.77 2.43 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.492 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.85 -51.68 4.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.87 0.366 . . . . 0.0 111.148 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -105.85 29.22 6.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.492 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . 85.43 101.41 0.69 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.537 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.776 ' CE2' HG12 ' A' ' 88' ' ' VAL . 77.8 m-85 38.92 25.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.874 0.368 . . . . 0.0 110.857 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 23' ' ' GLY . . . 35.37 46.15 0.73 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.506 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.656 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -153.28 143.63 22.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.825 0.345 . . . . 0.0 110.91 -179.889 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.7 t -122.18 162.44 21.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -122.8 169.72 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.154 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.487 ' HA ' ' CE1' ' A' ' 74' ' ' HIS . 3.6 ptp180 -147.6 160.16 42.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 82.97 -161.88 40.25 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.424 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 124.7 179.17 15.62 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.514 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -58.74 -20.92 53.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.797 0.332 . . . . 0.0 110.862 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -67.84 -34.85 77.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -111.71 11.25 21.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 56.42 49.12 15.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.91 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.6 ptm -153.46 159.99 42.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.457 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 62.9 m-20 -65.38 169.7 5.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.641 HD12 ' HB ' ' A' ' 69' ' ' THR . 9.2 mt -94.35 116.67 29.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.457 ' CE1' ' O ' ' A' ' 37' ' ' ASP . 2.9 m-85 -113.62 165.18 12.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.8 t -81.19 95.94 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.622 HD13 ' C ' ' A' ' 41' ' ' LEU . 2.0 tm? -45.49 -62.62 1.2 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.955 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.484 ' HD2' ' N ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -153.83 175.68 13.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 179.892 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.484 ' N ' ' HD2' ' A' ' 42' ' ' ARG . 12.8 mt -127.34 150.51 49.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.01 120.6 28.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.049 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.759 ' HA ' HD13 ' A' ' 50' ' ' ILE . 14.6 pt-20 -59.64 -26.54 65.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -116.39 31.33 6.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.843 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -112.66 169.06 12.83 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.478 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -25.9 28.15 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.695 2.263 . . . . 0.0 112.375 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.512 ' HB2' ' O ' ' A' ' 24' ' ' PHE . . . -65.93 -67.05 0.47 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.759 HD13 ' HA ' ' A' ' 45' ' ' GLU . 6.6 tt -46.13 -23.08 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.162 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -85.83 -31.29 22.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 49' ' ' ALA . 0.3 OUTLIER -58.98 -60.49 3.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.502 ' O ' ' N ' ' A' ' 55' ' ' MET . . . 100.61 -54.03 0.88 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.433 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.467 ' C ' ' O ' ' A' ' 53' ' ' GLY . 10.2 mmp_? -32.17 -36.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.784 0.326 . . . . 0.0 110.809 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.502 ' N ' ' O ' ' A' ' 53' ' ' GLY . 6.1 ptm -123.35 144.41 49.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.408 ' CD ' ' O ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -138.13 -178.98 5.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 -179.891 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 92.9 t -79.91 130.99 35.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.135 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 100.45 30.66 6.13 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.454 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.854 ' CB ' HD21 ' A' ' 92' ' ' LEU . 4.5 m-20 -115.62 173.62 6.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.729 0.3 . . . . 0.0 110.851 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.487 ' NE2' ' O ' ' A' ' 61' ' ' ILE . 1.1 tm0? -121.56 117.29 26.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.55 HG12 HD13 ' A' ' 92' ' ' LEU . 13.8 mt -86.97 120.51 36.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.604 ' N ' HD13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -98.32 -30.49 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.1 179.88 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -129.74 148.42 51.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.797 HG13 HG21 ' A' ' 69' ' ' THR . 57.8 mt -139.84 109.16 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.155 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 80' ' ' LEU . 30.0 m-20 55.8 43.7 27.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 63.76 40.51 98.56 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.512 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -137.9 128.25 26.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.805 0.336 . . . . 0.0 110.939 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.3 m -56.69 126.06 25.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.797 HG21 HG13 ' A' ' 64' ' ' ILE . 16.0 p -106.14 47.17 0.89 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.116 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -104.68 -38.11 6.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -121.33 46.1 2.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 9.5 mtm -122.23 152.75 39.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.456 ' O ' ' C ' ' A' ' 74' ' ' HIS . 25.3 p -98.95 143.73 28.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.487 ' CE1' ' HA ' ' A' ' 29' ' ' ARG . 11.3 t-160 -33.89 -36.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 73' ' ' THR . . . -63.99 -52.56 59.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.083 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 73' ' ' THR . 10.5 tpt180 -48.44 -48.51 37.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.88 -48.84 77.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.458 ' HA ' HD12 ' A' ' 81' ' ' ILE . 3.4 mm -61.56 -13.05 7.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.155 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -92.02 -41.07 10.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.497 ' O ' ' ND2' ' A' ' 65' ' ' ASN . 82.5 mt -63.83 -40.69 97.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.458 HD12 ' HA ' ' A' ' 78' ' ' ILE . 39.9 mt -54.71 -35.42 32.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.104 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -97.99 -14.73 20.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.0 t -73.92 -33.62 64.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.812 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -69.59 -36.63 76.67 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.514 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 129.7 -131.66 6.75 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.504 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 19' ' ' LYS . 24.8 mtt180 -91.16 -17.49 26.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.806 0.336 . . . . 0.0 110.877 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 34.2 mtm180 -116.89 124.94 50.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.776 HG12 ' CE2' ' A' ' 24' ' ' PHE . 12.1 p -119.92 144.58 28.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.404 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 30.8 ttt180 -135.06 111.75 10.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.618 HD23 HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -123.99 148.51 46.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.464 HD23 ' N ' ' A' ' 92' ' ' LEU . 3.4 tt -86.8 116.97 25.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.854 HD21 ' CB ' ' A' ' 59' ' ' ASP . 7.0 tp -126.23 152.03 46.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.471 ' NZ ' ' CE2' ' A' ' 10' ' ' PHE . 11.8 pttp -132.91 129.31 38.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 10.4 tpp180 -107.83 149.04 28.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.837 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.497 ' O ' ' N ' ' A' ' 97' ' ' GLY . . . -75.63 -45.4 17.84 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.534 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.409 HG22 ' O ' ' A' ' 95' ' ' GLY . 10.5 t 39.42 24.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.815 0.34 . . . . 0.0 111.152 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 95' ' ' GLY . . . -59.15 92.92 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.461 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.5 t -38.25 153.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.972 0.415 . . . . 0.0 110.825 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -163.81 147.5 13.07 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.493 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 4.75 2.02 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.703 2.268 . . . . 0.0 112.331 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 94.7 p -84.87 33.52 0.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 39.1 t -50.64 -48.04 58.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.857 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.46 -179.949 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.9 m -121.79 109.86 15.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.857 0.36 . . . . 0.0 110.878 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.1 p -116.39 42.88 2.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.56 168.59 7.65 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 6' ' ' SER . 6.3 m -38.55 127.87 1.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.9 0.381 . . . . 0.0 110.875 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 5' ' ' SER . 40.3 t -37.89 142.66 0.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.854 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.27 136.62 12.82 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.481 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -73.26 96.72 2.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.807 0.337 . . . . 0.0 110.874 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -149.69 134.03 17.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.585 ' CD1' ' N ' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -97.18 179.85 4.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.871 -179.903 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -43.44 108.32 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.831 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -75.4 82.16 2.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.577 ' CE1' ' O ' ' A' ' 54' ' ' ARG . 11.8 p90 -107.39 150.1 27.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.858 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -91.18 165.58 13.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.158 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.469 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 37.6 t -136.07 138.1 47.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.143 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -136.25 121.18 18.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.41 ' SD ' ' HA ' ' A' ' 49' ' ' ALA . 3.7 mtm -148.3 167.58 24.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.517 ' O ' ' CD2' ' A' ' 24' ' ' PHE . 4.2 mt-10 -106.93 173.31 6.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.822 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.0 ttmt -84.63 163.59 19.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -121.14 -124.33 3.08 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.12 -56.73 3.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.897 0.38 . . . . 0.0 111.128 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.5 tppt? -115.94 24.98 11.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 135.22 -165.32 24.71 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.5 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.965 ' CE2' HG12 ' A' ' 88' ' ' VAL . 57.7 m-85 -84.96 34.29 0.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.883 0.373 . . . . 0.0 110.854 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 40.19 39.08 1.46 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.474 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.65 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -153.02 143.44 22.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.871 0.367 . . . . 0.0 110.903 -179.883 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.458 ' HB3' ' CD ' ' A' ' 42' ' ' ARG . 38.0 t -118.99 172.03 7.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -179.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.502 HG22 HD12 ' A' ' 61' ' ' ILE . 0.5 OUTLIER -133.5 169.22 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.139 179.904 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.62 ' HB3' HD23 ' A' ' 41' ' ' LEU . 4.8 ptp180 -151.36 169.54 21.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.14 -176.71 46.62 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.496 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 134.97 175.88 14.08 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.533 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 -54.3 -24.57 19.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.786 0.327 . . . . 0.0 110.91 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -66.0 -36.59 83.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -109.44 14.15 23.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.957 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 51.94 48.88 21.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.906 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.8 ptm -151.95 166.19 32.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.551 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 0.8 OUTLIER -70.62 171.43 10.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.4 mt -95.79 128.68 42.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.603 ' CE2' ' HG3' ' A' ' 60' ' ' GLN . 1.6 m-85 -129.38 167.91 17.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.471 ' O ' HG13 ' A' ' 57' ' ' VAL . 90.4 t -85.32 98.85 6.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.171 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.62 HD23 ' HB3' ' A' ' 29' ' ' ARG . 0.4 OUTLIER -43.41 -64.57 0.62 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.458 ' CD ' ' HB3' ' A' ' 27' ' ' SER . 0.0 OUTLIER -155.23 165.9 35.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.645 HD21 ' SD ' ' A' ' 55' ' ' MET . 12.2 mt -115.0 150.86 35.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.31 118.45 28.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.831 ' HA ' HD13 ' A' ' 50' ' ' ILE . 14.1 pt-20 -57.76 -29.47 64.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.904 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -113.56 30.09 7.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -113.38 166.58 12.16 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.456 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -24.92 28.88 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.679 2.253 . . . . 0.0 112.316 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.703 ' HB2' ' O ' ' A' ' 24' ' ' PHE . . . -66.9 -58.4 5.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.831 HD13 ' HA ' ' A' ' 45' ' ' GLU . 8.2 tt -56.12 -14.34 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 40.5 mtp180 -93.61 -19.67 20.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.512 ' ND2' ' H ' ' A' ' 55' ' ' MET . 0.7 OUTLIER -67.39 -54.5 19.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.443 ' O ' ' CD ' ' A' ' 56' ' ' ARG . . . 94.95 -52.63 1.92 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.484 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.577 ' O ' ' CE1' ' A' ' 13' ' ' PHE . 17.9 mmt180 -45.34 -27.76 0.73 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.861 0.363 . . . . 0.0 110.909 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.645 ' SD ' HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -120.87 139.68 52.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 179.93 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.575 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -137.43 -175.23 3.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.859 -179.917 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.471 HG13 ' O ' ' A' ' 40' ' ' VAL . 61.5 t -93.52 111.32 24.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 135.23 -19.76 3.83 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.498 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.604 ' HB2' HD21 ' A' ' 92' ' ' LEU . 1.5 m-20 -74.05 176.68 6.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.792 0.329 . . . . 0.0 110.828 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.603 ' HG3' ' CE2' ' A' ' 39' ' ' TYR . 2.7 tt0 -121.17 120.73 36.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.899 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.502 HD12 HG22 ' A' ' 28' ' ' ILE . 17.1 mt -82.75 117.08 28.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.139 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.529 HD11 ' HD2' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -103.14 -20.61 5.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 179.861 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.57 ' HA ' HG23 ' A' ' 69' ' ' THR . 5.9 tt0 -132.31 150.07 52.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.548 HG13 HG21 ' A' ' 69' ' ' THR . 97.1 mt -141.75 127.27 18.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.124 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.554 ' ND2' HG23 ' A' ' 88' ' ' VAL . 22.6 m-20 33.64 48.55 0.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 57.73 43.06 94.66 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.485 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 64' ' ' ILE . 17.8 mt-10 -136.25 110.3 8.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.885 0.374 . . . . 0.0 110.87 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 89.3 p -42.62 109.0 0.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.57 HG23 ' HA ' ' A' ' 63' ' ' GLU . 10.4 p -80.31 57.92 2.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.128 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 30.6 ptt180 -111.1 138.8 47.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.409 ' OD1' ' N ' ' A' ' 71' ' ' ASP . 1.0 OUTLIER 52.9 36.28 21.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.825 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 6.3 mtm -108.13 156.1 19.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 76' ' ' ARG . 79.6 p -106.49 145.38 31.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.167 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.439 ' C ' ' O ' ' A' ' 73' ' ' THR . 20.9 t-160 -35.37 -35.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 73' ' ' THR . . . -59.67 -47.89 83.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.111 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.517 ' NE ' HD21 ' A' ' 80' ' ' LEU . 9.2 tpt180 -55.5 -62.33 1.75 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -46.95 -28.62 1.68 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.074 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 5.9 mm -78.56 -30.99 15.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -85.6 -23.15 27.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.517 HD21 ' NE ' ' A' ' 76' ' ' ARG . 32.0 mt -70.42 -40.12 74.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.943 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 17.2 mt -62.0 -30.59 48.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.18 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.0 ptpt -97.06 -14.52 21.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 26.4 t -78.63 -31.58 47.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.832 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -69.39 -40.5 79.88 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.463 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 127.97 -132.77 7.53 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.505 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 30.7 mtt85 -87.91 -16.84 32.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.855 0.36 . . . . 0.0 110.927 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 25.6 mtm-85 -115.59 127.14 55.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.965 HG12 ' CE2' ' A' ' 24' ' ' PHE . 12.4 p -125.08 144.2 35.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.124 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.545 ' O ' ' N ' ' A' ' 65' ' ' ASN . 62.1 mtt85 -137.69 123.82 20.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.582 HD23 HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -138.56 148.62 44.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.576 ' C ' HD23 ' A' ' 91' ' ' LEU . 1.8 tt -88.83 109.98 20.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.604 HD21 ' HB2' ' A' ' 59' ' ' ASP . 9.2 tp -121.36 142.86 49.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.936 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.529 ' HD2' HD11 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -125.84 135.58 52.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.852 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 29.1 tpt180 -111.6 142.98 43.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -83.63 48.63 4.08 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.495 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.9 t -92.12 -11.43 35.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.865 0.364 . . . . 0.0 111.139 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -63.57 -61.62 6.08 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.507 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.4 m -172.78 158.04 3.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.894 0.378 . . . . 0.0 110.856 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -144.85 124.37 2.14 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 110.35 2.53 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.7 2.267 . . . . 0.0 112.309 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 71.1 m 51.3 43.88 29.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 28.6 t -78.55 150.38 32.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.496 179.996 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.6 p -118.12 121.9 41.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.859 0.361 . . . . 0.0 110.884 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.8 m -50.26 112.84 0.74 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.67 140.11 9.66 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.509 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.3 m -112.63 95.05 5.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.869 0.366 . . . . 0.0 110.889 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.3 t -106.92 113.62 27.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.845 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -50.38 165.02 0.64 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.485 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -125.79 92.33 3.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.767 0.318 . . . . 0.0 110.911 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.487 ' HB2' ' CZ ' ' A' ' 12' ' ' TYR . 5.3 m-20 -47.68 172.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.424 ' O ' ' CG ' ' A' ' 11' ' ' ASP . 9.4 m-85 -42.82 -51.06 5.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.424 ' CG ' ' O ' ' A' ' 10' ' ' PHE . 4.7 m-20 -175.11 105.92 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.487 ' CZ ' ' HB2' ' A' ' 9' ' ' ASP . 12.3 m-85 -80.57 86.07 5.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.928 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.596 ' CE1' ' O ' ' A' ' 54' ' ' ARG . 9.1 p90 -108.1 147.28 31.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 69.8 p -91.86 163.4 14.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.143 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 62.8 t -122.1 141.91 40.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.144 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -135.57 112.68 10.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.6 mtm -146.39 -179.99 7.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.448 ' O ' ' CD2' ' A' ' 24' ' ' PHE . 3.2 mt-10 -125.06 175.33 7.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.891 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.579 ' HD3' ' CE1' ' A' ' 24' ' ' PHE . 0.6 OUTLIER -70.82 162.29 29.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.925 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -141.0 -113.21 1.01 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.534 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.03 -57.41 2.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.843 0.354 . . . . 0.0 111.088 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.0 mmtm -109.3 31.11 6.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.47 93.65 1.05 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.506 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.896 ' CE2' HG12 ' A' ' 88' ' ' VAL . 55.3 m-85 52.3 29.41 6.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.856 0.36 . . . . 0.0 110.896 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.511 ' C ' ' O ' ' A' ' 24' ' ' PHE . . . 28.04 49.3 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.511 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.666 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -153.61 137.28 16.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.834 0.35 . . . . 0.0 110.844 -179.855 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.4 t -117.5 161.53 19.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -122.15 170.43 12.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.162 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -146.49 161.29 40.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.92 -164.85 50.52 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.449 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 131.1 179.43 16.11 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.5 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.444 ' HG3' ' C ' ' A' ' 71' ' ' ASP . 14.6 mmm180 -61.48 -21.47 64.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.78 0.324 . . . . 0.0 110.9 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -67.78 -33.24 74.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -110.62 7.37 22.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.896 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 60.34 49.14 7.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.2 ptm -153.8 160.72 42.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.533 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 0.7 OUTLIER -67.13 171.51 5.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.408 ' HA ' ' O ' ' A' ' 29' ' ' ARG . 9.1 mt -94.95 120.52 35.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.533 ' CE1' ' O ' ' A' ' 37' ' ' ASP . 1.8 m-85 -121.34 158.99 27.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.945 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.4 t -71.96 108.98 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.138 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.574 HD13 ' C ' ' A' ' 41' ' ' LEU . 2.0 tm? -63.06 -57.86 9.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.499 ' HG2' ' N ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -156.17 154.67 31.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.499 ' N ' ' HG2' ' A' ' 42' ' ' ARG . 9.7 mt -113.32 139.47 48.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.75 113.99 19.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.076 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.844 ' HA ' HD13 ' A' ' 50' ' ' ILE . 11.5 pt-20 -59.91 -18.85 47.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -115.57 21.02 14.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.83 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -106.92 168.53 14.41 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.493 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -17.58 37.38 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.714 2.276 . . . . 0.0 112.319 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.449 ' HB2' ' O ' ' A' ' 24' ' ' PHE . . . -71.25 -69.46 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.105 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.844 HD13 ' HA ' ' A' ' 45' ' ' GLU . 4.9 tt -43.58 -25.67 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 53.2 mtp180 -78.65 -36.71 43.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 49' ' ' ALA . 0.2 OUTLIER -57.77 -60.5 3.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.502 ' O ' ' N ' ' A' ' 55' ' ' MET . . . 100.83 -52.46 0.92 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.457 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.596 ' O ' ' CE1' ' A' ' 13' ' ' PHE . 37.3 mmt-85 -34.3 -32.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.803 0.335 . . . . 0.0 110.86 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.502 ' N ' ' O ' ' A' ' 53' ' ' GLY . 13.7 ptm -122.67 146.51 47.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.69 -175.45 3.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.454 ' CG2' ' HB2' ' A' ' 43' ' ' LEU . 82.1 t -86.65 146.12 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.107 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 77.62 28.95 56.37 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.477 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.69 ' CB ' HD21 ' A' ' 92' ' ' LEU . 2.2 t0 -105.53 166.04 10.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.768 0.318 . . . . 0.0 110.863 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.492 ' NE2' ' O ' ' A' ' 61' ' ' ILE . 1.5 tm0? -109.58 113.21 25.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.564 HG12 HD13 ' A' ' 92' ' ' LEU . 43.7 mt -85.45 126.97 40.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.656 ' N ' HD13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -104.58 -24.93 3.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 179.9 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.501 ' HB3' ' CB ' ' A' ' 91' ' ' LEU . 28.3 tt0 -132.29 150.88 52.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.464 HG13 ' CG2' ' A' ' 69' ' ' THR . 96.6 mt -146.18 105.16 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 80' ' ' LEU . 26.6 m-20 63.75 31.96 13.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.59 -17.16 59.83 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.497 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -76.23 145.62 39.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.807 0.337 . . . . 0.0 110.907 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.454 ' O ' ' C ' ' A' ' 69' ' ' THR . 3.7 m -83.83 22.38 1.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.782 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.464 ' CG2' HG13 ' A' ' 64' ' ' ILE . 37.7 p 33.36 43.32 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.118 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.421 ' C ' ' HD3' ' A' ' 70' ' ' ARG . 0.6 OUTLIER -99.0 123.24 43.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.444 ' C ' ' HG3' ' A' ' 32' ' ' ARG . 19.0 m-20 59.19 43.55 16.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.4 mtm -114.44 142.41 46.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 41.4 p -95.45 151.22 19.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.15 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 14.4 t-160 -39.11 -39.26 0.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.24 -53.86 52.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.083 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -47.97 -54.32 13.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.76 -44.78 66.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.122 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.405 HG22 ' O ' ' A' ' 78' ' ' ILE . 2.9 mm -67.38 -14.57 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -94.85 -32.95 13.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.496 ' O ' ' ND2' ' A' ' 65' ' ' ASN . 26.7 mt -68.62 -41.47 79.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.966 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 28.5 mt -56.77 -35.0 44.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.109 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.422 ' HA ' ' NZ ' ' A' ' 19' ' ' LYS . 2.3 ptpt -97.17 -13.58 22.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.9 t -73.18 -36.28 66.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.822 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -70.85 -36.29 65.79 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.526 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.417 ' O ' ' NZ ' ' A' ' 19' ' ' LYS . . . 132.02 -129.51 5.62 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.485 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 12.3 mtm180 -94.83 -19.27 20.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.864 0.364 . . . . 0.0 110.909 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 39.5 mtp180 -109.56 123.41 49.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.896 HG12 ' CE2' ' A' ' 24' ' ' PHE . 13.0 p -122.78 148.85 26.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.137 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.407 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 12.7 ttt180 -141.02 115.17 9.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.846 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.614 HD23 HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -128.83 147.15 50.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.504 HD23 ' N ' ' A' ' 92' ' ' LEU . 3.8 tt -86.25 115.35 23.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.69 HD21 ' CB ' ' A' ' 59' ' ' ASP . 8.4 tp -124.27 153.58 41.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.422 ' O ' ' OD1' ' A' ' 59' ' ' ASP . 14.9 pttp -132.47 128.14 36.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.22 132.23 35.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.496 ' O ' ' N ' ' A' ' 97' ' ' GLY . . . -44.61 -59.57 4.18 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.518 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.409 HG22 ' O ' ' A' ' 95' ' ' GLY . 9.8 t 39.41 24.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.852 0.358 . . . . 0.0 111.164 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 95' ' ' GLY . . . -82.86 125.35 6.93 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.487 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 27.8 m 57.3 40.24 27.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.936 0.398 . . . . 0.0 110.872 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 45.0 81.35 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.479 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 1.72 4.19 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.725 2.283 . . . . 0.0 112.333 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 80.4 p -83.42 53.35 2.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.824 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 39.3 t -116.53 99.09 6.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.846 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.464 -179.97 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.4 m -73.97 118.46 16.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.831 0.348 . . . . 0.0 110.853 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -169.43 112.83 0.51 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.27 101.27 0.29 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.468 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.0 p -101.53 177.89 4.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 110.854 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.2 m -167.04 135.98 2.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.25 -148.67 4.8 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.459 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -71.47 -43.99 65.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.786 0.327 . . . . 0.0 110.934 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -92.87 144.97 24.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.812 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.446 ' CE1' ' HB2' ' A' ' 93' ' ' LYS . 0.7 OUTLIER -112.82 -32.03 6.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.9 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -159.2 110.62 2.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -95.6 90.96 5.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.954 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.598 ' CD2' ' O ' ' A' ' 92' ' ' LEU . 17.7 p90 -114.57 155.0 27.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.407 HG21 HH21 ' A' ' 89' ' ' ARG . 46.2 p -98.9 155.29 17.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.109 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 72.6 t -113.59 143.79 22.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -136.12 113.81 11.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.829 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.3 mtm -148.9 175.57 11.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.407 ' O ' ' CD2' ' A' ' 24' ' ' PHE . 2.7 mt-10 -120.63 174.91 6.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.502 ' N ' ' O ' ' A' ' 86' ' ' ARG . 21.1 ttmt -86.75 151.74 23.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -107.33 -118.69 4.35 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.487 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.66 -57.08 2.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.89 0.376 . . . . 0.0 111.083 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -114.89 28.79 8.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 131.81 -169.45 22.0 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.507 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.905 ' CE2' HG12 ' A' ' 88' ' ' VAL . 40.7 m-85 -81.92 39.62 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.905 0.383 . . . . 0.0 110.87 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 24' ' ' PHE . . . 33.48 40.2 0.12 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.482 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.647 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -153.05 140.18 19.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.829 0.347 . . . . 0.0 110.867 -179.831 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.418 ' HB3' ' HB3' ' A' ' 41' ' ' LEU . 1.2 t -116.72 166.68 11.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -128.7 170.35 18.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.086 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.542 ' HA ' ' CE1' ' A' ' 74' ' ' HIS . 10.4 ptt180 -150.84 169.29 22.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.825 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.96 -163.15 54.94 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.441 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 126.08 165.21 11.97 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.466 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -43.26 -34.6 1.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.761 0.315 . . . . 0.0 110.882 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -54.36 -41.01 68.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.927 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -106.1 19.75 20.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.922 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.9 mmtp 49.16 50.29 18.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 4.0 ptm -154.81 159.77 40.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.476 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 2.1 m-20 -66.69 171.31 5.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.706 HD12 ' HB ' ' A' ' 69' ' ' THR . 6.3 mt -95.93 117.94 31.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.476 ' CE1' ' O ' ' A' ' 37' ' ' ASP . 1.2 m-85 -118.37 165.96 13.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.909 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.512 HG12 HG23 ' A' ' 57' ' ' VAL . 99.0 t -81.23 111.48 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.123 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.486 HD13 ' C ' ' A' ' 41' ' ' LEU . 1.8 tm? -62.15 -55.83 24.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.509 ' HA ' HG21 ' A' ' 57' ' ' VAL . 0.1 OUTLIER -155.7 152.22 28.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.478 HD11 ' HA ' ' A' ' 56' ' ' ARG . 7.6 mt -110.25 140.56 44.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -78.09 119.31 21.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.051 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.841 ' HA ' HD13 ' A' ' 50' ' ' ILE . 6.2 pt-20 -63.55 -23.5 67.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -116.51 25.66 10.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -106.73 170.78 16.41 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.426 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -28.25 25.65 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.674 2.25 . . . . 0.0 112.361 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 52' ' ' ASN . . . -63.81 -68.61 0.33 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.089 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.841 HD13 ' HA ' ' A' ' 45' ' ' GLU . 6.0 tt -44.33 -25.05 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.149 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 66.0 mtp85 -81.92 -33.81 30.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 49' ' ' ALA . 0.3 OUTLIER -58.83 -56.07 26.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' A' ' 55' ' ' MET . . . 95.56 -54.15 1.73 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.512 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.555 ' O ' ' CE1' ' A' ' 13' ' ' PHE . 48.4 mmt-85 -35.75 -31.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.832 0.349 . . . . 0.0 110.863 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.499 ' N ' ' O ' ' A' ' 53' ' ' GLY . 2.4 ptm -128.23 140.11 52.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.478 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -130.71 171.2 13.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.929 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.512 HG23 HG12 ' A' ' 40' ' ' VAL . 6.6 p -83.13 138.91 18.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 103.52 -9.39 52.84 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.494 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.777 ' HB2' HD21 ' A' ' 92' ' ' LEU . 23.2 m-20 -77.77 -174.75 3.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.742 0.305 . . . . 0.0 110.904 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.499 ' NE2' ' O ' ' A' ' 61' ' ' ILE . 10.2 tm0? -123.28 115.12 21.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.584 HG12 HD13 ' A' ' 92' ' ' LEU . 21.8 mt -84.01 122.53 37.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.099 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.675 ' N ' HD13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -98.5 -31.82 3.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.846 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.488 ' HA ' HG23 ' A' ' 69' ' ' THR . 29.3 tt0 -131.74 150.45 52.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.927 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.742 HG13 HG21 ' A' ' 69' ' ' THR . 43.4 mt -139.19 114.91 8.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.13 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.486 ' ND2' ' O ' ' A' ' 80' ' ' LEU . 29.2 m-20 54.67 38.74 30.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 66.28 39.92 94.53 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.477 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -136.29 115.11 12.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.789 0.328 . . . . 0.0 110.92 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.8 t -48.57 113.02 0.68 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.742 HG21 HG13 ' A' ' 64' ' ' ILE . 22.3 p -85.65 47.07 1.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.143 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 -97.85 -37.73 9.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -121.61 45.54 2.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 6.5 mtm -122.79 150.59 42.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.433 ' O ' ' C ' ' A' ' 74' ' ' HIS . 33.7 p -105.76 147.55 28.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.2 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.542 ' CE1' ' HA ' ' A' ' 29' ' ' ARG . 12.7 t-160 -35.19 -41.85 0.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.815 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.66 -49.76 75.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 73' ' ' THR . 6.4 tpt180 -54.78 -63.18 1.23 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -43.97 -37.65 3.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.055 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 7.5 mm -66.16 -33.53 64.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.102 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 76' ' ' ARG . 2.1 pt-20 -81.96 -26.44 33.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.486 ' O ' ' ND2' ' A' ' 65' ' ' ASN . 92.5 mt -67.31 -42.41 83.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.94 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 20.0 mt -59.86 -30.1 44.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.145 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.6 ptpt -97.8 -17.97 19.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.1 t -73.19 -36.05 66.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -67.84 -41.92 87.41 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.497 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 131.44 -134.7 7.81 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.5 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.502 ' O ' ' N ' ' A' ' 19' ' ' LYS . 19.7 mtt-85 -88.18 -18.31 29.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.827 0.346 . . . . 0.0 110.881 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 81.5 mtt180 -113.68 123.09 49.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.905 HG12 ' CE2' ' A' ' 24' ' ' PHE . 12.5 p -119.55 149.27 22.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.407 HH21 HG21 ' A' ' 14' ' ' THR . 26.8 ttt85 -141.39 114.48 8.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.591 HD23 HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -129.34 148.91 51.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.453 HD22 ' CG1' ' A' ' 62' ' ' ILE . 3.1 tt -87.8 114.56 24.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.777 HD21 ' HB2' ' A' ' 59' ' ' ASP . 8.4 tp -123.39 157.01 34.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.446 ' HB2' ' CE1' ' A' ' 10' ' ' PHE . 4.1 ptmm? -129.62 128.99 43.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.83 140.62 36.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.896 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -88.1 68.46 2.98 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.469 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.3 t -114.63 -39.98 3.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.856 0.36 . . . . 0.0 111.165 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -61.56 -149.89 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.467 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 42.4 p -40.2 104.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.915 0.388 . . . . 0.0 110.87 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -146.35 70.27 0.36 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.523 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -5.77 16.99 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.679 2.252 . . . . 0.0 112.335 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.0 m -85.6 24.52 1.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.834 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.8 m -101.05 -35.8 9.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.506 -179.992 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.4 p -84.03 86.86 7.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.847 0.356 . . . . 0.0 110.824 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -75.62 -48.34 22.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.32 133.87 18.71 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.516 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.4 t -86.75 132.63 33.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.925 0.393 . . . . 0.0 110.824 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.7 p -156.48 159.91 39.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.841 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.03 177.0 32.52 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.458 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -77.02 100.34 5.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.794 0.331 . . . . 0.0 110.958 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -123.46 177.2 5.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.833 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.523 ' CG ' ' HB ' ' A' ' 96' ' ' THR . 1.5 m-85 -117.87 -48.25 2.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.417 ' O ' ' CB ' ' A' ' 93' ' ' LYS . 43.8 t0 -167.37 118.65 0.88 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -98.95 82.45 2.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.596 ' CD1' ' O ' ' A' ' 92' ' ' LEU . 22.4 p90 -113.63 148.93 35.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.853 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.824 HG21 HH21 ' A' ' 89' ' ' ARG . 64.5 p -91.87 160.35 15.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.148 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 57.8 t -118.48 148.49 21.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.185 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -136.21 118.5 15.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.528 ' HE1' ' CD2' ' A' ' 26' ' ' PHE . 3.8 mtm -152.22 169.06 23.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.489 ' O ' ' CD1' ' A' ' 24' ' ' PHE . 6.2 mt-10 -121.18 175.01 6.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.586 ' HE2' ' CE2' ' A' ' 24' ' ' PHE . 2.5 ttmm -84.59 152.53 23.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -123.86 -158.52 10.15 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.49 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.18 -51.56 67.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.865 0.364 . . . . 0.0 111.096 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.4 ttmt -109.94 28.57 8.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 109.25 -167.22 12.82 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.47 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 1.141 ' CE1' HG12 ' A' ' 88' ' ' VAL . 68.2 m-85 -63.26 -12.11 26.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.897 0.379 . . . . 0.0 110.909 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.28 39.15 44.54 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.464 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.646 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -153.2 143.85 22.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.837 0.351 . . . . 0.0 110.91 -179.868 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 14.0 t -122.36 159.41 27.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.458 HG22 ' CD1' ' A' ' 61' ' ' ILE . 0.7 OUTLIER -118.63 169.96 8.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.112 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -146.08 165.55 28.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.838 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.03 -168.62 54.81 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.507 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 131.21 171.87 12.98 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.494 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -51.86 -28.1 14.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.755 0.312 . . . . 0.0 110.877 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -62.12 -37.93 86.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.927 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -106.93 9.69 30.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.0 mmtm 55.98 48.77 17.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.3 ptm -151.25 162.72 40.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.545 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 6.0 m-20 -67.85 168.53 11.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.87 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.482 HD12 ' HB ' ' A' ' 69' ' ' THR . 9.4 mt -94.22 119.94 33.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.545 ' CE1' ' O ' ' A' ' 37' ' ' ASP . 2.0 m-85 -120.47 168.3 11.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 77.4 t -82.08 97.96 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.104 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.645 HD13 ' C ' ' A' ' 41' ' ' LEU . 1.5 tm? -48.03 -64.36 0.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.425 ' C ' ' HD2' ' A' ' 42' ' ' ARG . 0.3 OUTLIER -149.82 177.32 9.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.755 HD11 ' HA ' ' A' ' 56' ' ' ARG . 11.4 mt -130.46 151.1 51.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -91.17 114.26 26.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.119 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.731 ' HA ' HD13 ' A' ' 50' ' ' ILE . 1.0 OUTLIER -55.65 -26.01 42.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.916 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -111.96 22.03 15.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -103.47 162.88 15.67 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.504 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -23.84 30.42 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.709 2.273 . . . . 0.0 112.36 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.87 -61.5 1.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.09 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.731 HD13 ' HA ' ' A' ' 45' ' ' GLU . 9.8 tt -51.85 -17.91 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 -87.31 -29.16 21.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.924 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.578 ' ND2' ' H ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -61.73 -60.37 3.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.578 ' H ' ' ND2' ' A' ' 52' ' ' ASN . . . 108.94 -49.89 0.82 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.462 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.477 ' C ' ' O ' ' A' ' 53' ' ' GLY . 26.0 mmt85 -31.92 -69.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.851 0.358 . . . . 0.0 110.885 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.67 ' HB2' HD22 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -87.32 173.69 9.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.755 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.7 OUTLIER -175.58 -175.77 0.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 31.2 t -81.55 128.11 39.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 110.37 -9.55 30.84 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.486 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.929 ' CB ' HD21 ' A' ' 92' ' ' LEU . 56.2 m-20 -83.39 169.5 15.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.803 0.335 . . . . 0.0 110.852 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.499 ' NE2' ' O ' ' A' ' 61' ' ' ILE . 3.8 tm0? -123.34 114.25 19.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.569 HG12 HD13 ' A' ' 92' ' ' LEU . 5.8 mt -80.7 125.2 39.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.559 ' N ' HD13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -103.55 -29.64 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.138 179.838 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.639 ' HA ' HG23 ' A' ' 69' ' ' THR . 11.7 tt0 -135.89 150.73 49.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.478 ' N ' ' HG2' ' A' ' 63' ' ' GLU . 96.5 mt -137.2 124.12 29.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 50.2 46.85 24.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 60.04 32.26 75.15 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.482 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -132.6 108.63 9.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.922 0.391 . . . . 0.0 110.848 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 18.1 p -45.9 117.12 1.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.639 HG23 ' HA ' ' A' ' 63' ' ' GLU . 30.8 p -76.61 50.12 0.66 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.155 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -102.31 133.62 46.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.4 t70 61.07 25.83 15.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 5.1 mtm -103.32 147.65 26.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 76' ' ' ARG . 46.8 p -100.36 143.95 29.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.18 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.452 ' C ' ' O ' ' A' ' 73' ' ' THR . 17.3 t-160 -34.28 -38.57 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.834 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.78 -49.21 78.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.139 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 73' ' ' THR . 7.4 tpt180 -55.16 -62.45 1.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -45.79 -31.93 2.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.079 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 6.5 mm -72.77 -32.06 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -82.88 -23.98 33.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 45.3 mt -70.37 -40.85 73.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.42 HG23 HG21 ' A' ' 88' ' ' VAL . 18.8 mt -61.47 -30.21 47.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.9 ptpt -97.26 -16.61 20.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 29.7 t -75.82 -29.84 58.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -70.47 -44.96 56.76 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.437 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 133.61 -149.88 19.78 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.463 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 19' ' ' LYS . 8.6 mtm-85 -69.1 -28.29 66.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 0.0 110.908 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.415 ' HG2' ' CG ' ' A' ' 18' ' ' GLU . 76.2 mtt180 -109.74 126.17 53.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 1.141 HG12 ' CE1' ' A' ' 24' ' ' PHE . 7.6 p -120.07 136.53 56.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.159 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.824 HH21 HG21 ' A' ' 14' ' ' THR . 45.2 ttt180 -130.57 112.69 13.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.737 HD23 HG22 ' A' ' 88' ' ' VAL . 0.1 OUTLIER -123.38 148.94 45.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.467 ' CB ' ' HB3' ' A' ' 63' ' ' GLU . 1.3 tt -86.25 106.6 17.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.929 HD21 ' CB ' ' A' ' 59' ' ' ASP . 6.9 tp -115.19 151.48 34.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.527 ' NZ ' HG21 ' A' ' 96' ' ' THR . 3.9 ptmm? -118.47 129.06 55.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.491 ' CD ' ' OD1' ' A' ' 59' ' ' ASP . 11.7 mmm-85 -103.46 162.09 13.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.833 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 95.79 -30.37 8.53 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.462 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.527 HG21 ' NZ ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -78.87 -25.03 43.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.815 0.341 . . . . 0.0 111.142 -179.869 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -101.36 131.97 10.78 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.502 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 35.1 p -88.09 153.35 21.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.903 0.383 . . . . 0.0 110.85 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.402 ' HA2' ' HD2' ' A' ' 100' ' ' PRO . . . -166.71 96.69 0.13 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.468 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.402 ' HD2' ' HA2' ' A' ' 99' ' ' GLY . 54.1 Cg_endo -69.77 139.31 39.87 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.675 2.25 . . . . 0.0 112.342 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 93.4 p -153.07 161.45 42.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.858 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 38.6 t 61.94 50.72 4.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.808 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.471 179.965 . . . . . . . . 0 0 . 1 stop_ save_