data_1wfq_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 1wfq _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 ' 18' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 . . . . . 0 N--CA 1.458 -0.054 0 CA-C-O 120.776 0.322 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.472 ' OE1' ' CG2' ' A' ' 66' ' ' VAL . 13.0 mt-10 -106.08 154.14 21.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.1 p -129.64 138.64 51.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.131 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -149.05 -124.59 1.35 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.494 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.8 p -158.01 151.28 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.848 0.356 . . . . 0.0 111.118 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.471 ' CG2' ' HA ' ' A' ' 58' ' ' VAL . 8.5 mm -78.81 93.2 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.145 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -69.18 -48.18 62.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.461 ' HD3' ' N ' ' A' ' 26' ' ' LEU . 6.6 tmtm? -135.62 152.07 50.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.461 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 2.6 tp -145.5 138.77 26.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.462 HD11 ' N ' ' A' ' 27' ' ' LEU . 3.1 mp -131.49 -177.41 4.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.958 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 88.2 m -76.54 -25.41 54.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 t -94.81 -40.64 9.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.833 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -165.54 -175.02 3.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.418 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -150.24 166.09 29.98 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.521 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.401 ' CD1' ' N ' ' A' ' 32' ' ' PHE . 6.4 m-85 -111.37 143.5 42.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.825 0.345 . . . . 0.0 110.905 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.569 HG21 ' CE1' ' A' ' 64' ' ' PHE . 21.9 mt -120.05 117.8 54.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.42 103.0 7.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.921 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.471 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 74.3 m -60.1 117.36 5.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.8 m -85.9 10.79 12.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -112.41 -42.32 3.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.474 ' HB2' ' CZ ' ' A' ' 38' ' ' ARG . 3.1 ptm85 -102.62 -7.22 21.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 63.08 38.86 10.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -130.16 144.25 51.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.09 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.501 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 8.8 ptt85 -85.76 110.51 19.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.421 HD11 ' CE2' ' A' ' 64' ' ' PHE . 10.4 mt -88.9 166.76 13.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.544 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -123.25 103.78 8.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.427 ' CD2' HD12 ' A' ' 33' ' ' ILE . 2.3 p90 -98.74 139.48 34.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -92.95 141.8 28.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.83 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 14.0 p -49.11 -21.8 0.81 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.1 t -75.65 -33.02 60.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 42.0 mm-40 -58.87 -53.45 58.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -52.96 124.07 13.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.454 ' ND2' HG13 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -76.28 -41.73 47.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.404 ' H ' ' ND2' ' A' ' 50' ' ' ASN . . . -66.63 -140.44 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.479 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 53' ' ' LEU . 1.4 p-10 -124.23 111.91 16.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.891 0.376 . . . . 0.0 110.86 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 52' ' ' ASN . 4.1 mm? -36.87 -36.33 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.931 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.9 mm100 -46.55 -48.16 19.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -68.18 -38.08 81.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.7 tp -63.1 158.55 19.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.941 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -161.14 165.03 30.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.471 ' HA ' ' CG2' ' A' ' 23' ' ' ILE . 39.4 t -77.97 114.49 18.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 114.64 21.73 5.32 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.476 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -125.41 139.35 53.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.851 0.358 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -66.86 145.85 55.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -154.81 142.39 12.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.092 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -97.32 136.61 37.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.929 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.569 ' CE1' HG21 ' A' ' 33' ' ' ILE . 18.2 p90 -147.88 176.33 10.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -121.4 122.15 39.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.472 ' CG2' ' OE1' ' A' ' 19' ' ' GLU . 96.5 t -73.71 119.85 21.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.151 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.7 m -127.4 176.97 7.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.82 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.9 m -117.53 119.76 36.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -58.06 174.7 0.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.836 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.575 ' HE ' ' N ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -112.23 -12.05 13.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.883 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.1 mtm105 -99.74 -37.9 8.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 18.4 p -118.54 -16.46 9.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.159 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 63.22 16.99 58.67 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.462 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.6 mmtp -83.27 152.0 63.83 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.581 0.705 . . . . 0.0 110.936 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 102.59 1.05 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.724 2.283 . . . . 0.0 112.317 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.2 pt -116.3 158.19 16.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.116 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -86.47 153.64 21.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.054 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.4 m -151.48 159.56 4.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.17 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? 47.05 48.26 15.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.498 ' CD1' ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -59.51 150.42 26.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.948 179.89 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.454 HG13 ' ND2' ' A' ' 50' ' ' ASN . 5.8 m -156.74 121.89 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.6 tttt -58.52 131.07 49.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.9 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.119 179.866 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.8 mmm-85 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.79 0.328 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -95.89 154.81 17.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 24.4 p -122.94 145.26 48.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.107 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -151.24 -133.63 2.06 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.493 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.8 p -154.08 136.92 7.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.818 0.342 . . . . 0.0 111.14 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.447 ' CG2' ' HA ' ' A' ' 58' ' ' VAL . 22.6 mm -68.8 92.68 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.144 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.409 ' C ' HG11 ' A' ' 58' ' ' VAL . 2.6 tp10 -69.61 -39.41 77.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.468 ' HD3' ' N ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -142.49 154.54 44.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.468 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 4.3 tp -147.77 136.2 21.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.437 ' N ' HD12 ' A' ' 27' ' ' LEU . 4.2 mp -127.53 -175.08 3.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 43.0 m -78.47 -28.5 46.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.185 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.4 m -92.8 -41.3 10.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -161.65 -176.22 5.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.93 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.513 ' O ' ' CD1' ' A' ' 44' ' ' PHE . . . -148.26 166.13 29.02 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.483 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -107.56 155.65 19.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.827 0.346 . . . . 0.0 110.873 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.549 HG23 ' CZ ' ' A' ' 64' ' ' PHE . 27.6 mt -135.42 112.99 14.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.15 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -79.72 94.7 5.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.466 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 84.9 m -42.69 135.46 2.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.5 m -97.1 1.69 50.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.874 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -110.05 -41.31 4.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.466 ' HG2' ' CB ' ' A' ' 35' ' ' CYS . 9.4 ptm180 -103.72 -1.49 27.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.44 ' OE1' ' C ' ' A' ' 38' ' ' ARG . 3.2 mp0 51.12 47.86 24.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.959 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -127.68 144.67 51.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.078 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.6 mtt180 -84.25 100.28 11.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.415 ' CD2' ' O ' ' A' ' 75' ' ' PRO . 8.4 mt -85.15 168.34 14.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.547 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -126.61 106.6 9.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.526 ' CD1' HD13 ' A' ' 33' ' ' ILE . 2.4 p90 -101.53 140.17 36.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -93.1 140.72 29.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 8.7 p -53.17 -15.67 0.97 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.906 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.7 m -80.77 -31.44 35.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 66.1 mm-40 -63.12 -49.67 73.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.451 ' CE2' ' N ' ' A' ' 52' ' ' ASN . 14.1 t80 -52.61 127.77 23.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.951 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -82.84 -32.14 27.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.855 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.14 -133.8 0.16 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.46 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.485 ' N ' ' OD1' ' A' ' 52' ' ' ASN . 0.5 OUTLIER -131.91 110.59 10.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.895 0.379 . . . . 0.0 110.866 -179.909 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -39.49 -47.01 1.8 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.465 ' CG ' ' HB2' ' A' ' 52' ' ' ASN . 7.5 pt20 -43.66 -42.41 5.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -73.34 -34.88 65.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.1 tp -65.6 162.64 17.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.3 pttt -162.48 159.74 25.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.447 ' HA ' ' CG2' ' A' ' 23' ' ' ILE . 99.7 t -74.75 120.25 23.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 112.79 16.4 8.63 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.488 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -120.5 141.29 50.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.825 0.345 . . . . 0.0 110.878 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -68.88 144.87 54.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -156.03 142.25 10.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -97.72 136.71 37.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.549 ' CZ ' HG23 ' A' ' 33' ' ' ILE . 13.6 p90 -148.27 176.66 10.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.859 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -121.44 121.55 37.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 86.8 t -73.17 123.17 27.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.107 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.7 t -133.66 178.89 6.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 73.6 m -114.8 134.73 54.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.812 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -70.42 176.57 3.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.839 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -108.75 -8.57 15.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.0 mtm180 -112.53 -27.35 8.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 45.5 p -126.26 -13.89 6.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.142 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 54.43 13.92 4.38 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.488 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.0 mmtp -75.57 152.86 85.47 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.568 0.699 . . . . 0.0 110.915 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.415 ' O ' ' CD2' ' A' ' 42' ' ' LEU . 53.7 Cg_endo -69.71 95.46 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.726 2.284 . . . . 0.0 112.326 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 10.2 pt -107.8 163.28 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.137 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.416 ' HB1' ' CD2' ' A' ' 64' ' ' PHE . . . -93.89 143.29 26.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.2 m -142.23 166.84 15.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.081 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? 43.73 51.24 6.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.464 ' CD1' ' HB3' ' A' ' 64' ' ' PHE . 0.2 OUTLIER -64.73 153.07 40.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.922 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.417 ' CG1' ' O ' ' A' ' 80' ' ' LEU . 33.7 m -157.97 125.51 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.172 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 10.7 tttp -64.45 123.2 18.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.9 mt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.091 179.908 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.7 mmm-85 . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.742 0.306 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -98.37 153.94 18.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.2 p -122.75 140.74 52.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.145 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -149.62 -132.12 2.02 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.482 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.41 ' O ' ' N ' ' A' ' 34' ' ' GLN . 2.7 p -154.31 141.0 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.865 0.364 . . . . 0.0 111.1 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.6 mm -70.62 93.53 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.168 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -67.45 -43.6 80.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.487 ' HD3' ' N ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -140.41 154.79 46.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.909 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.487 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 3.5 tp -146.63 138.15 24.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.944 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.8 mp -132.92 -177.56 4.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 46.2 m -76.44 -28.64 56.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.158 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.1 m -90.42 -42.54 10.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.845 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -162.74 -175.55 4.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.875 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.572 ' O ' ' CD1' ' A' ' 44' ' ' PHE . . . -149.45 162.87 29.15 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.505 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -105.91 159.99 15.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.837 0.351 . . . . 0.0 110.888 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.56 HD13 ' CD1' ' A' ' 44' ' ' PHE . 25.0 mt -139.18 113.42 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.153 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.41 ' N ' ' O ' ' A' ' 22' ' ' VAL . 2.7 tp60 -79.47 99.94 7.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.461 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 29.0 m -46.7 136.06 8.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.5 m -98.67 6.0 47.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -115.27 -38.05 3.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.461 ' HG2' ' CB ' ' A' ' 35' ' ' CYS . 12.4 ptm180 -105.35 -12.15 16.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 62.72 44.49 6.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -126.26 140.89 52.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.092 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 23.6 mtm180 -81.44 102.72 10.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.494 ' CD2' ' O ' ' A' ' 75' ' ' PRO . 9.5 mt -86.28 170.6 11.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.928 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.5 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -127.45 106.39 9.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.572 ' CD1' ' O ' ' A' ' 31' ' ' GLY . 2.4 p90 -101.57 140.78 35.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -93.8 138.57 31.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.2 t -51.42 -17.62 0.82 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.874 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.2 t -78.17 -32.54 50.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 51.9 mm-40 -62.92 -50.07 72.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -50.6 130.06 23.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.938 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -78.52 -42.12 30.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.28 -151.86 1.4 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.463 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.432 ' O ' ' C ' ' A' ' 53' ' ' LEU . 12.1 t-20 -112.91 113.78 26.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.862 0.363 . . . . 0.0 110.88 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 52' ' ' ASN . 1.3 mm? -35.06 -35.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.883 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.429 ' N ' ' O ' ' A' ' 52' ' ' ASN . 30.0 mm-40 -45.46 -49.83 13.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -68.87 -38.95 80.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.8 tp -66.26 150.54 48.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -154.63 174.08 15.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.928 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 42.6 t -83.65 105.95 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.109 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 123.16 19.04 2.99 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.487 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -120.9 132.3 54.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.781 0.324 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.04 140.13 57.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -150.06 151.91 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.102 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -107.97 136.51 47.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.479 ' HB3' ' CD1' ' A' ' 80' ' ' LEU . 21.6 p90 -148.37 176.77 10.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -124.17 123.44 40.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 87.6 t -73.33 117.79 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.8 m -127.53 170.22 12.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -103.14 128.69 50.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -65.32 173.47 2.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.871 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -109.99 1.22 18.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 42.9 mmm-85 -120.16 -47.45 2.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 67.3 p -105.1 -14.5 15.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.187 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 60.69 17.39 49.16 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.45 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 45.3 mmtt -85.05 152.53 58.92 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.606 0.717 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.494 ' O ' ' CD2' ' A' ' 42' ' ' LEU . 53.8 Cg_endo -69.72 97.48 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.714 2.276 . . . . 0.0 112.319 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 8.8 pt -105.71 166.53 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.183 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -94.78 145.06 25.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.158 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.1 m -144.64 162.96 13.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 35.5 mmtt 44.5 51.38 7.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.912 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.479 ' CD1' ' HB3' ' A' ' 64' ' ' PHE . 0.2 OUTLIER -64.57 151.3 44.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.975 179.899 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.405 ' CG1' ' O ' ' A' ' 80' ' ' LEU . 5.5 m -160.99 117.79 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.14 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 17.4 tttm -56.2 128.65 36.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.7 mt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.924 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.2 mmm-85 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.771 0.32 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -108.36 154.13 22.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.9 p -124.24 151.92 43.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -155.32 -125.98 0.97 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.41 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.2 p -158.75 133.44 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.817 0.341 . . . . 0.0 111.135 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.463 HD13 ' CG2' ' A' ' 62' ' ' VAL . 26.0 mm -64.39 91.63 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.115 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.3 tp10 -67.15 -38.58 85.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.46 ' HD3' ' N ' ' A' ' 26' ' ' LEU . 5.0 tmtm? -146.52 153.66 40.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.46 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 2.9 tt -147.99 136.94 21.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.467 HD11 ' N ' ' A' ' 27' ' ' LEU . 3.7 mp -128.98 -177.3 4.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 83.8 m -79.46 -19.3 50.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.176 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.7 t -102.72 -41.81 6.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -158.15 -175.55 5.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.966 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.533 ' HA3' ' CE1' ' A' ' 44' ' ' PHE . . . -154.21 167.23 32.31 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.426 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -113.25 156.41 23.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.805 0.336 . . . . 0.0 110.893 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.468 ' CD1' HD11 ' A' ' 80' ' ' LEU . 33.8 mt -136.63 116.18 16.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.137 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.471 ' NE2' ' HG3' ' A' ' 41' ' ' ARG . 3.9 tp60 -80.46 95.59 6.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.947 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.451 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 74.0 m -42.97 130.24 4.35 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.934 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.6 m -95.19 10.24 36.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -116.99 -36.05 3.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.451 ' HG2' ' CB ' ' A' ' 35' ' ' CYS . 14.2 ptm180 -110.99 -6.62 14.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 59.84 40.59 19.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.26 141.62 50.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.069 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.481 ' CZ ' ' HB2' ' A' ' 41' ' ' ARG . 14.0 mtm105 -82.99 101.91 11.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.484 ' CD2' ' O ' ' A' ' 75' ' ' PRO . 8.9 mt -85.21 171.17 12.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.483 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -127.96 108.08 10.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.903 179.92 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.533 ' CE1' ' HA3' ' A' ' 31' ' ' GLY . 2.5 p90 -103.6 140.92 36.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -96.49 141.81 29.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.4 p -50.99 -20.04 1.23 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.831 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.7 t -74.74 -34.51 62.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -61.92 -49.82 74.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -51.96 134.44 31.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -85.37 -38.07 19.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.852 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -74.68 -147.87 1.49 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.49 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 41.5 t-20 -113.97 118.63 34.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.88 0.372 . . . . 0.0 110.927 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -47.12 -36.61 8.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -47.88 -40.92 23.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.96 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -76.77 -35.7 57.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.1 tp -62.14 144.58 55.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.939 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.3 pttp -150.02 151.39 33.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 80.8 t -63.05 129.46 26.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.121 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.77 16.28 26.69 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.481 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -113.16 142.15 46.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.785 0.326 . . . . 0.0 110.868 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.77 135.76 43.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.463 ' CG2' HD13 ' A' ' 23' ' ' ILE . 1.6 m -146.72 164.92 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.172 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 66.1 tt0 -120.63 135.17 55.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.471 ' HB3' ' CD1' ' A' ' 80' ' ' LEU . 44.9 p90 -144.48 176.61 9.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.863 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -124.72 118.75 27.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 66.1 t -69.41 116.17 9.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.0 m -126.75 175.81 7.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.0 p -108.25 128.7 54.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.843 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -66.48 165.61 14.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.864 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -103.0 0.73 32.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -119.88 -38.25 2.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 22.2 p -115.93 -12.67 11.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.183 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 59.13 9.2 7.29 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.498 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.2 mmtt -76.37 152.61 83.77 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.582 0.706 . . . . 0.0 110.898 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.484 ' O ' ' CD2' ' A' ' 42' ' ' LEU . 53.9 Cg_endo -69.78 99.87 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.701 2.267 . . . . 0.0 112.35 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 10.7 pt -110.64 163.37 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.153 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -91.44 146.75 23.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 28.0 m -146.08 161.9 10.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.2 mmtt 45.44 51.76 9.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.491 ' O ' ' CG1' ' A' ' 81' ' ' VAL . 0.2 OUTLIER -64.38 156.16 30.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.88 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.491 ' CG1' ' O ' ' A' ' 80' ' ' LEU . 12.5 m -163.4 119.76 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.149 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 10.6 tttt -59.24 125.65 24.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.4 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.888 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.408 ' NH2' HG22 ' A' ' 81' ' ' VAL . 30.1 mmm-85 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.776 0.322 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -104.33 154.18 20.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.931 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.5 p -120.27 145.52 46.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -152.3 -137.66 2.61 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.469 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.5 p -150.52 141.0 16.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.803 0.335 . . . . 0.0 111.093 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.476 HD13 ' CG2' ' A' ' 62' ' ' VAL . 10.9 mm -71.39 95.01 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.097 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -70.45 -46.94 62.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.844 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.489 ' HD3' ' N ' ' A' ' 26' ' ' LEU . 7.2 tmtm? -138.38 154.15 48.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.489 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 3.3 tp -146.88 138.27 24.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.925 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 mp -131.43 -174.87 3.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.3 m -78.91 -28.41 43.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.2 m -92.14 -40.23 11.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -164.21 -175.14 3.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.902 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.531 ' O ' ' CD1' ' A' ' 44' ' ' PHE . . . -151.4 165.32 30.41 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.49 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -108.16 156.91 18.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.863 0.363 . . . . 0.0 110.854 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.413 ' CD1' HD12 ' A' ' 80' ' ' LEU . 37.7 mt -134.89 114.62 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.414 ' NE2' ' HG3' ' A' ' 41' ' ' ARG . 2.4 tp60 -80.39 93.37 5.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.472 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 68.0 m -43.74 142.1 1.36 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 45.2 m -100.27 -0.54 38.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -108.21 -42.79 4.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.827 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.505 ' O ' ' CG ' ' A' ' 39' ' ' GLN . 9.9 ptm180 -101.75 -0.28 34.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.505 ' CG ' ' O ' ' A' ' 38' ' ' ARG . 11.1 pt20 47.88 43.11 17.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.439 ' CB ' ' NE ' ' A' ' 38' ' ' ARG . . . -123.39 140.51 52.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.414 ' HG3' ' NE2' ' A' ' 34' ' ' GLN . 27.2 mtp180 -79.27 99.81 7.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.401 HD13 ' CE2' ' A' ' 64' ' ' PHE . 8.7 mt -83.09 169.71 15.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.489 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -127.56 108.74 11.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.531 ' CD1' ' O ' ' A' ' 31' ' ' GLY . 2.2 p90 -104.26 140.96 37.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -93.81 139.99 30.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.4 p -52.26 -16.29 0.8 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.845 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.9 t -80.19 -31.29 38.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.817 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 57.1 mm-40 -62.31 -50.29 72.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.928 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -51.6 127.0 19.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -78.5 -34.11 47.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.915 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -76.55 -140.4 1.06 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.527 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' ' 53' ' ' LEU . 1.5 t30 -123.5 111.49 16.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.847 0.356 . . . . 0.0 110.877 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 52' ' ' ASN . 3.8 mm? -34.03 -46.24 0.23 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 52.5 mm-40 -42.05 -49.3 4.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -63.93 -35.07 79.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.839 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.462 HD11 ' CG1' ' A' ' 62' ' ' VAL . 10.4 tp -71.81 159.7 33.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.965 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.7 pttm -159.16 164.26 35.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 38.4 t -75.2 127.69 36.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.201 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.3 20.18 16.42 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.51 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -118.8 151.95 37.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.833 0.349 . . . . 0.0 110.858 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.04 142.87 34.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.476 ' CG2' HD13 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -155.17 142.48 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.138 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -99.04 128.94 45.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.481 ' HB3' ' CD1' ' A' ' 80' ' ' LEU . 14.9 p90 -138.55 176.76 8.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -123.47 118.75 28.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 64.8 t -71.21 122.43 23.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.9 t -131.67 172.69 11.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 72.4 m -105.59 130.96 53.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -67.06 165.56 15.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -104.91 1.36 28.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.1 mmp_? -117.49 -41.54 2.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 63.2 p -115.22 -12.72 11.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.164 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 61.34 15.28 44.72 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.461 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.9 mmtt -81.11 152.92 71.78 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.617 0.723 . . . . 0.0 110.872 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 103.01 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.676 2.251 . . . . 0.0 112.375 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 10.6 pt -115.67 159.37 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.12 145.1 25.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 28.1 m -144.87 161.49 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.124 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? 47.77 49.92 16.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.481 ' CD1' ' HB3' ' A' ' 64' ' ' PHE . 0.2 OUTLIER -62.65 155.13 27.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.408 HG22 ' NH2' ' A' ' 18' ' ' ARG . 0.7 OUTLIER -161.47 128.55 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.098 179.882 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.9 tttt -66.68 129.64 40.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.877 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.6 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.16 179.873 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.768 0.318 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -111.17 154.22 24.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 24.8 p -124.6 144.61 50.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -148.75 -138.5 3.0 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.514 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.406 ' O ' ' CG1' ' A' ' 22' ' ' VAL . 6.1 p -152.23 124.88 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.76 0.314 . . . . 0.0 111.113 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 16.6 mm -56.12 92.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -69.41 -39.93 77.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.08 154.7 44.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.7 tp -146.1 136.87 24.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.0 mp -127.87 -175.87 3.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.921 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 88.8 m -82.56 -12.92 57.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.4 t -109.44 -37.86 5.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.828 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -161.34 -179.49 7.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.58 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -147.41 158.78 27.83 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.539 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -105.03 146.83 28.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.82 0.343 . . . . 0.0 110.864 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.555 HD12 ' CD2' ' A' ' 44' ' ' PHE . 22.8 mt -126.17 111.82 27.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.415 ' NE2' ' HG3' ' A' ' 41' ' ' ARG . 5.3 tp60 -78.94 101.52 7.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.7 m -48.97 137.51 12.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -103.31 6.16 37.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 -179.706 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -116.79 -42.03 3.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.848 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.476 ' CZ ' ' HB2' ' A' ' 38' ' ' ARG . 0.4 OUTLIER -99.91 -13.53 19.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 -179.912 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 63.92 46.98 3.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -131.66 133.84 45.33 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.415 ' HG3' ' NE2' ' A' ' 34' ' ' GLN . 15.5 mtt180 -74.39 104.87 5.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.6 mt -87.44 166.0 15.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.548 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -124.43 107.28 10.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.58 ' CD2' ' O ' ' A' ' 31' ' ' GLY . 2.0 p90 -103.5 141.55 35.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -95.76 142.36 28.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 62.8 m -54.03 -14.87 1.17 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 45.1 t -81.48 -31.07 33.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.801 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 48.6 mm-40 -63.74 -49.63 72.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -52.0 129.92 28.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -81.28 -40.98 22.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.29 -141.71 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.439 ' O ' ' C ' ' A' ' 53' ' ' LEU . 1.8 p-10 -122.07 109.68 14.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.35 . . . . 0.0 110.905 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 52' ' ' ASN . 2.7 mm? -34.38 -42.94 0.15 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -42.91 -49.92 5.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -66.63 -36.88 83.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.464 HD13 ' CG1' ' A' ' 62' ' ' VAL . 10.2 tp -68.58 144.04 54.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.414 ' HD2' ' CG ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -144.02 169.34 18.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.836 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 78.2 t -80.61 115.73 23.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.099 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 115.28 15.91 7.45 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.502 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.414 ' CG ' ' HD2' ' A' ' 57' ' ' LYS . 29.6 m-20 -116.73 145.19 43.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.787 0.327 . . . . 0.0 110.881 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.69 141.28 48.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.464 ' CG1' HD13 ' A' ' 56' ' ' LEU . 0.8 OUTLIER -151.96 146.39 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.129 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -102.75 136.17 43.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.476 ' HB3' ' CD1' ' A' ' 80' ' ' LEU . 4.7 p90 -146.08 176.72 9.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -121.62 115.28 22.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.856 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 48.6 t -69.74 120.57 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.133 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.5 t -128.6 178.62 6.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.852 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -109.97 126.38 53.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -60.35 163.5 5.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.829 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -99.4 0.69 43.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 20.0 mmt-85 -116.37 -58.18 2.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 34.4 p -99.18 -8.82 24.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 58.97 15.83 29.96 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -78.49 152.32 78.24 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.54 0.686 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 102.25 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.671 2.247 . . . . 0.0 112.337 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 8.1 pt -113.4 161.58 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -91.24 143.36 26.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.6 m -143.7 163.12 15.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.119 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 39.0 mmtt 45.64 49.1 11.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.476 ' CD1' ' HB3' ' A' ' 64' ' ' PHE . 0.2 OUTLIER -62.79 151.72 37.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.2 p -159.75 123.94 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.073 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.4 tttt -59.9 129.36 41.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.7 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.111 179.849 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.0 mmm-85 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.788 0.327 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -105.55 154.9 19.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 18.3 p -125.33 147.84 48.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.121 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -153.93 -135.5 2.12 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.497 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.6 p -151.41 131.81 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.801 0.334 . . . . 0.0 111.124 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.465 ' CG2' ' HA ' ' A' ' 58' ' ' VAL . 5.9 mm -61.2 94.32 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -68.69 -40.7 79.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.464 ' HD3' ' N ' ' A' ' 26' ' ' LEU . 1.8 tmtt? -147.58 153.44 39.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.464 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 3.3 tp -143.19 138.15 29.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.405 ' HG ' ' NZ ' ' A' ' 25' ' ' LYS . 4.3 mp -130.14 -175.79 3.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 48.8 m -79.0 -25.3 43.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -94.65 -41.96 9.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -161.6 -175.27 4.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.602 ' O ' ' CD1' ' A' ' 44' ' ' PHE . . . -149.06 159.65 28.12 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -105.81 148.64 27.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.798 0.332 . . . . 0.0 110.889 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.555 HD13 ' CD1' ' A' ' 44' ' ' PHE . 33.1 mt -128.87 115.43 36.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.134 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.464 ' NE2' ' HG3' ' A' ' 41' ' ' ARG . 8.1 tp60 -80.21 101.49 8.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.468 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 76.3 m -51.18 127.14 18.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.73 9.11 38.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -115.58 -42.49 3.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.468 ' HG2' ' CB ' ' A' ' 35' ' ' CYS . 14.7 ptm180 -102.96 -6.7 22.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 60.01 34.45 21.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -119.43 132.2 55.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.08 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.464 ' HG3' ' NE2' ' A' ' 34' ' ' GLN . 23.4 mtm180 -74.35 111.26 9.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.458 HD11 ' CE1' ' A' ' 64' ' ' PHE . 8.2 mt -94.59 166.25 12.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.548 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -124.1 108.3 12.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.602 ' CD1' ' O ' ' A' ' 31' ' ' GLY . 2.2 p90 -103.29 141.6 35.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -94.81 140.13 30.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.1 t -52.04 -17.57 1.09 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.7 m -79.8 -29.66 40.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 62.7 mm-40 -65.34 -43.77 89.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -54.28 132.15 43.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.958 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 36.1 m-20 -80.86 -38.15 28.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -77.89 -144.98 2.35 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.485 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.426 ' O ' ' C ' ' A' ' 53' ' ' LEU . 11.5 t-20 -117.73 112.67 20.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 110.873 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' A' ' 52' ' ' ASN . 1.3 mm? -35.17 -40.42 0.13 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.916 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -43.3 -49.43 6.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.925 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -67.28 -36.57 81.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.3 tp -64.91 154.98 35.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.945 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.2 pttt -159.32 160.29 34.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.465 ' HA ' ' CG2' ' A' ' 23' ' ' ILE . 87.4 t -73.43 123.73 29.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.116 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 105.77 21.05 8.89 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.518 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -123.95 143.01 50.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.833 0.349 . . . . 0.0 110.867 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -69.54 142.72 53.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.866 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -154.17 142.31 13.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.11 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -98.63 131.28 44.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.475 ' HB3' ' CD1' ' A' ' 80' ' ' LEU . 33.9 p90 -142.91 176.7 8.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -121.23 124.86 45.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 80.7 t -79.77 114.85 21.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.139 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.3 t -124.1 172.2 9.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.9 p -102.91 123.55 46.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.86 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -58.07 171.66 0.51 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -110.92 0.39 17.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 19.0 mtt-85 -116.87 -34.64 4.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 18.2 p -123.97 -7.44 7.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.132 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 58.48 13.88 18.46 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.465 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.3 mmtp -79.39 152.23 75.71 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.605 0.717 . . . . 0.0 110.858 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.422 ' O ' ' CD2' ' A' ' 42' ' ' LEU . 53.4 Cg_endo -69.77 102.96 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.66 2.24 . . . . 0.0 112.332 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 8.9 pt -112.64 158.78 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -88.69 143.31 27.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.075 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.7 m -144.17 162.22 15.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.142 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.0 mttt 46.61 49.88 13.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.475 ' CD1' ' HB3' ' A' ' 64' ' ' PHE . 0.2 OUTLIER -62.88 158.23 19.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.972 179.84 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.2 p -165.4 131.53 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.167 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 21.4 tttt -67.46 126.61 29.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.1 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.105 179.881 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.7 mmm-85 . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.793 0.33 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -96.68 154.11 17.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.438 ' CG2' ' HG3' ' A' ' 63' ' ' GLU . 31.0 p -127.75 139.71 52.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -151.38 -124.91 1.17 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.509 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.6 p -157.11 151.72 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.805 0.336 . . . . 0.0 111.099 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.471 ' CG2' ' HA ' ' A' ' 58' ' ' VAL . 15.4 mm -78.86 90.9 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -65.17 -46.62 80.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.487 ' HD3' ' N ' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -139.2 153.22 47.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.932 179.898 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.487 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 2.7 tp -146.28 139.47 25.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.943 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.1 mp -131.59 -175.54 3.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.946 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 43.7 m -80.34 -19.25 46.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.132 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.5 m -102.14 -38.71 7.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -165.48 -176.52 4.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -150.93 167.11 30.52 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.449 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -113.61 142.14 46.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.815 0.34 . . . . 0.0 110.882 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.574 HG23 ' CE1' ' A' ' 64' ' ' PHE . 22.3 mt -119.54 119.01 59.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -78.36 107.51 11.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.461 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 64.9 m -65.6 110.29 2.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.7 m -80.51 8.88 6.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -109.99 -40.7 4.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.461 ' HG2' ' CB ' ' A' ' 35' ' ' CYS . 11.6 ptm180 -105.05 -6.52 19.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 62.61 39.71 11.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -132.82 139.48 47.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.096 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.497 ' O ' ' CG ' ' A' ' 41' ' ' ARG . 9.3 ptt85 -83.02 112.69 20.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.5 mt -90.77 169.99 10.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.563 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -124.1 105.16 9.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 179.917 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.506 ' CD2' HD12 ' A' ' 33' ' ' ILE . 1.9 p90 -101.23 139.84 36.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.9 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -92.45 140.83 29.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 31.2 m -54.29 -14.87 1.3 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.8 p -81.32 -31.39 33.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.9 mm-40 -63.18 -52.01 64.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -51.69 126.32 17.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.959 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 19.3 p-10 -78.95 -41.04 30.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.5 -143.69 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.428 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' ' 53' ' ' LEU . 51.8 t-20 -123.65 112.62 17.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.939 0.399 . . . . 0.0 110.845 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 52' ' ' ASN . 4.0 mm? -34.56 -43.96 0.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.918 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -43.67 -49.07 7.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -66.25 -36.8 83.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.5 tp -68.74 149.04 49.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.963 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.412 ' HE3' ' CG ' ' A' ' 60' ' ' ASP . 7.3 pttp -155.24 163.73 39.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.471 ' HA ' ' CG2' ' A' ' 23' ' ' ILE . 41.6 t -74.94 109.86 8.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.164 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 119.96 17.35 4.61 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.458 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.412 ' CG ' ' HE3' ' A' ' 57' ' ' LYS . 33.4 m-20 -119.39 139.77 51.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.802 0.334 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -68.13 138.39 55.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.7 m -151.21 141.84 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.161 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.438 ' HG3' ' CG2' ' A' ' 20' ' ' THR . 12.0 tt0 -99.8 139.12 35.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.574 ' CE1' HG23 ' A' ' 33' ' ' ILE . 16.8 p90 -147.13 176.73 9.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -122.81 127.56 49.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 85.4 t -79.74 119.87 29.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.099 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.3 t -125.06 179.21 5.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 26.1 p -118.36 106.66 12.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.827 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -48.54 170.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.873 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.578 ' HE ' ' N ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -110.9 -13.96 14.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 -179.904 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.0 mmt85 -97.93 -41.16 8.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 43.6 p -112.85 -16.88 12.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 61.78 17.55 54.65 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.506 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 51.1 mmtt -88.84 151.76 47.85 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.538 0.685 . . . . 0.0 110.899 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 102.84 1.08 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.655 2.237 . . . . 0.0 112.348 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.0 pt -115.88 166.03 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -89.62 152.25 21.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.102 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 17.2 m -150.98 158.0 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.106 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 32.3 mtmt 48.43 50.22 17.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.476 ' CD1' ' HB3' ' A' ' 64' ' ' PHE . 0.2 OUTLIER -63.04 151.06 40.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.927 179.917 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.5 m -155.25 129.21 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.124 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 19.9 tttt -66.43 119.23 11.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.7 mt . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.135 179.845 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 37.1 mmm-85 . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.793 0.33 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -104.43 153.79 20.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.9 p -121.82 147.98 45.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.194 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -155.55 -136.79 2.25 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.0 p -149.97 131.75 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.781 0.324 . . . . 0.0 111.092 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.46 ' CG2' ' HA ' ' A' ' 58' ' ' VAL . 20.2 mm -62.69 95.06 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.169 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -69.27 -44.42 71.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.475 ' HD3' ' N ' ' A' ' 26' ' ' LEU . 7.4 tmtm? -137.45 154.65 49.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.475 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 3.7 tp -147.89 138.29 22.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.7 mp -132.56 -174.81 3.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.9 m -81.09 -22.62 39.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.7 m -97.53 -40.95 8.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.868 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -162.78 178.57 8.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.586 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -145.02 162.4 28.12 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.489 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -108.83 153.05 24.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.77 0.319 . . . . 0.0 110.909 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.546 HD11 ' CD2' ' A' ' 44' ' ' PHE . 21.5 mt -131.15 114.71 27.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.099 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 35' ' ' CYS . 3.8 tp60 -78.33 89.06 4.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.407 ' C ' ' O ' ' A' ' 34' ' ' GLN . 64.8 m -37.82 132.64 0.91 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.8 m -98.82 3.1 47.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -108.54 -41.18 4.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.455 ' NE ' ' HB1' ' A' ' 40' ' ' ALA . 14.3 ptm180 -103.18 -11.98 17.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 63.95 50.53 2.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.455 ' HB1' ' NE ' ' A' ' 38' ' ' ARG . . . -134.14 145.39 49.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.106 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 35.2 mtm180 -82.86 100.55 10.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.488 HD13 ' CE2' ' A' ' 64' ' ' PHE . 8.3 mt -84.73 164.94 18.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.556 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -123.26 105.1 9.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.876 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.586 ' CD2' ' O ' ' A' ' 31' ' ' GLY . 2.3 p90 -101.25 139.14 37.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -91.95 138.9 31.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.4 p -52.91 -15.97 0.91 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.1 m -80.69 -30.79 36.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 71.3 mm-40 -63.58 -45.66 89.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.429 ' CE2' ' N ' ' A' ' 52' ' ' ASN . 16.7 t80 -56.82 128.95 39.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -80.15 -36.98 34.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.86 -139.31 0.25 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.444 ' O ' ' C ' ' A' ' 53' ' ' LEU . 64.0 t30 -127.9 109.83 11.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.872 0.368 . . . . 0.0 110.895 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 52' ' ' ASN . 3.8 mm? -34.1 -40.14 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 10.2 mp0 -42.41 -50.62 5.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -66.93 -36.88 83.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.452 HD12 ' CG1' ' A' ' 62' ' ' VAL . 11.7 tp -67.89 147.64 52.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.3 pttp -149.38 156.66 42.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.46 ' HA ' ' CG2' ' A' ' 23' ' ' ILE . 30.8 t -66.77 114.59 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 113.51 15.47 8.83 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.528 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -115.29 138.28 51.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.748 0.309 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -66.23 144.05 56.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.452 ' CG1' HD12 ' A' ' 56' ' ' LEU . 0.7 OUTLIER -157.07 142.29 8.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.113 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -96.76 133.93 40.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.488 ' CE2' HD13 ' A' ' 42' ' ' LEU . 23.6 p90 -143.92 176.65 9.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.864 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -123.03 125.63 45.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 75.0 t -79.16 121.0 31.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.091 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.2 t -130.5 165.97 21.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.831 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 64.4 p -105.31 109.17 21.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.826 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -48.1 175.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.563 ' HE ' ' N ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -114.5 -16.66 11.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.906 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 32.7 mmt180 -95.97 -41.44 8.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 44.2 p -110.69 -20.97 12.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.193 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 67.47 14.95 65.34 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.43 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.2 mmtt -88.12 152.54 50.68 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.592 0.71 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 105.35 1.47 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.651 2.234 . . . . 0.0 112.345 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.6 pt -118.19 159.02 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.116 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -87.15 149.89 24.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 23.6 m -148.25 160.54 6.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.137 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.5 mmpt? 47.54 49.44 16.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.48 ' CD1' ' HB3' ' A' ' 64' ' ' PHE . 0.2 OUTLIER -61.68 149.26 40.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.916 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 34.3 m -154.42 126.93 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.125 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 7.0 tttm -64.7 123.2 18.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.1 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.086 179.921 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.0 mmm-85 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.76 0.314 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -102.16 154.05 19.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.0 p -117.59 141.47 48.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.164 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -149.85 -137.42 2.75 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.456 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.47 ' O ' ' N ' ' A' ' 34' ' ' GLN . 2.9 p -151.17 145.12 16.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.799 0.333 . . . . 0.0 111.11 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.468 ' CG2' ' HA ' ' A' ' 58' ' ' VAL . 12.9 mm -77.21 93.61 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.132 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -68.24 -40.51 81.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.473 ' HD3' ' N ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -143.39 155.19 44.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.473 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 4.0 tp -146.97 136.91 23.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.414 HD11 ' N ' ' A' ' 27' ' ' LEU . 4.8 mp -127.87 -174.54 3.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 51.3 m -81.09 -22.51 39.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.104 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.1 m -99.27 -40.27 8.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.848 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -160.08 -175.92 5.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.942 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.506 ' HA3' ' CE2' ' A' ' 44' ' ' PHE . . . -150.3 162.16 29.16 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.48 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -106.81 144.42 33.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.813 0.339 . . . . 0.0 110.92 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.565 HD12 ' CD2' ' A' ' 44' ' ' PHE . 34.4 mt -125.57 110.89 25.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.489 ' NE2' ' HG3' ' A' ' 41' ' ' ARG . 2.8 tp60 -78.5 95.83 5.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.472 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 14.3 m -46.91 138.15 6.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 37.8 m -98.53 -11.28 22.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -96.56 -43.8 7.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.472 ' HG2' ' CB ' ' A' ' 35' ' ' CYS . 16.8 ptp180 -98.59 -12.34 21.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.914 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 58.67 54.06 5.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -137.73 137.2 38.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.088 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.489 ' HG3' ' NE2' ' A' ' 34' ' ' GLN . 16.9 mtm105 -76.24 100.77 5.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.446 HD11 ' CE2' ' A' ' 64' ' ' PHE . 10.5 mt -86.76 164.85 16.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.486 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -121.26 107.99 13.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.565 ' CD2' HD12 ' A' ' 33' ' ' ILE . 1.8 p90 -104.0 141.48 36.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -95.23 141.7 28.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 77.3 m -51.54 -16.84 0.67 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.6 t -80.6 -30.58 36.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.4 mm-40 -62.0 -50.12 73.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -56.28 116.53 3.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 61.7 m-20 -81.55 2.48 28.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -102.19 -147.08 19.07 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.488 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -114.34 107.1 15.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.863 0.363 . . . . 0.0 110.894 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -39.19 -39.17 0.57 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -50.56 -47.25 57.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -68.81 -30.46 69.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.8 tp -71.85 156.25 39.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.2 ptpp? -163.29 170.31 17.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.95 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.468 ' HA ' ' CG2' ' A' ' 23' ' ' ILE . 97.1 t -82.59 117.77 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.161 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 111.88 19.84 7.11 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.499 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -123.15 128.48 50.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.812 0.339 . . . . 0.0 110.83 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -56.95 140.74 47.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.828 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.2 m -152.22 142.31 15.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.158 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -99.63 132.78 44.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.546 ' CE1' HG21 ' A' ' 33' ' ' ILE . 18.4 p90 -141.54 176.82 8.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -118.16 119.92 36.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 89.4 t -76.63 118.76 23.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.1 t -131.35 177.27 7.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.865 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.437 ' O ' ' NH2' ' A' ' 70' ' ' ARG . 34.0 p -116.2 121.84 43.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -55.46 178.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.7 ' HE ' ' N ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -104.35 -27.5 11.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.895 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 49.6 mtt-85 -88.76 -59.93 2.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 6.1 p -91.73 -19.27 22.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.185 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 61.85 12.07 33.63 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.498 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.5 mmtt -73.02 153.47 90.83 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.538 0.685 . . . . 0.0 110.889 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 100.27 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.609 2.206 . . . . 0.0 112.375 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 11.1 pt -113.53 162.89 11.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.096 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -95.12 152.66 18.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.081 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 35.3 m -149.72 163.45 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.116 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.6 mmpt? 45.4 48.6 10.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.48 ' CD1' ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -59.93 151.97 24.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.88 179.911 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.1 m -155.41 131.53 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.071 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 25.8 tttt -70.05 122.38 19.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.3 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 179.859 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 42.5 mmm-85 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.775 0.322 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.482 ' OE2' ' CG2' ' A' ' 66' ' ' VAL . 8.8 mt-10 -99.02 154.17 18.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 35.0 p -123.36 139.83 53.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.152 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -148.85 -133.87 2.31 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.495 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 34' ' ' GLN . 6.7 p -152.36 141.53 14.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.775 0.321 . . . . 0.0 111.125 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.466 ' CG2' ' HA ' ' A' ' 58' ' ' VAL . 10.0 mm -73.55 93.3 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -67.02 -43.97 81.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.472 ' HE3' ' CD1' ' A' ' 27' ' ' LEU . 0.9 OUTLIER -141.26 157.41 45.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.467 ' N ' ' HD2' ' A' ' 25' ' ' LYS . 3.8 tp -146.81 138.04 24.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.472 ' CD1' ' HE3' ' A' ' 25' ' ' LYS . 4.5 mp -129.03 -175.69 3.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 45.7 m -81.75 -17.63 47.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.136 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 41.0 m -104.44 -40.67 5.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.837 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -157.53 -174.99 5.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.57 ' HA3' ' CE1' ' A' ' 44' ' ' PHE . . . -150.95 159.42 28.15 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.508 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -106.03 143.98 33.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.859 0.361 . . . . 0.0 110.848 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.544 HD11 ' CD1' ' A' ' 44' ' ' PHE . 33.2 mt -125.73 111.66 27.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.162 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 22' ' ' VAL . 4.8 tp60 -75.88 95.27 3.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.46 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 18.6 m -40.14 145.62 0.15 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.6 m -107.27 -0.82 22.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -110.75 -36.06 5.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.521 ' O ' ' CG ' ' A' ' 39' ' ' GLN . 14.2 ptm180 -108.83 0.63 20.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.521 ' CG ' ' O ' ' A' ' 38' ' ' ARG . 5.8 pt20 50.23 33.98 8.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.467 ' CB ' ' HG3' ' A' ' 38' ' ' ARG . . . -114.27 143.91 44.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.084 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.426 ' HG3' ' NE2' ' A' ' 34' ' ' GLN . 22.2 mtp180 -81.05 108.56 14.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.455 HD13 ' CE1' ' A' ' 64' ' ' PHE . 8.0 mt -91.19 165.61 13.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.623 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -124.34 108.43 12.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.57 ' CE1' ' HA3' ' A' ' 31' ' ' GLY . 2.4 p90 -105.53 141.13 37.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.868 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -95.32 139.65 31.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 67.6 m -51.09 -20.96 1.63 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.2 t -75.77 -30.85 59.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 68.3 mm-40 -62.78 -49.47 74.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -46.95 142.64 3.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.966 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.3 p-10 -88.74 -43.52 11.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -79.23 -155.19 9.06 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.518 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -100.55 122.57 43.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.896 0.379 . . . . 0.0 110.885 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.454 ' N ' HD21 ' A' ' 53' ' ' LEU . 3.1 mm? -43.96 -34.42 1.69 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -48.33 -45.48 35.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.947 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -68.7 -37.66 79.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.1 tp -69.68 150.48 46.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.9 ptpp? -152.39 172.92 15.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.466 ' HA ' ' CG2' ' A' ' 23' ' ' ILE . 74.3 t -84.21 125.81 40.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.096 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.0 22.58 10.6 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.495 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -123.53 145.72 48.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.793 0.33 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.46 142.02 51.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -154.2 144.61 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -100.66 134.5 43.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.489 ' CD1' ' HB2' ' A' ' 77' ' ' ALA . 29.0 p90 -144.92 176.73 9.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -119.65 117.88 29.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.482 ' CG2' ' OE2' ' A' ' 19' ' ' GLU . 94.7 t -71.46 119.1 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.3 t -132.09 179.11 6.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 18.5 m -114.29 127.87 56.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -62.33 170.09 2.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.444 ' N ' ' HD2' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -101.49 -12.52 18.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.831 -179.849 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 34.3 mmt180 -100.13 -60.68 1.48 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 25.9 p -94.31 -19.56 20.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.139 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 68.05 12.89 63.52 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.52 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.8 mmtt -75.78 153.53 85.13 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.582 0.706 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.417 ' O ' ' CD2' ' A' ' 42' ' ' LEU . 53.1 Cg_endo -69.83 98.19 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.667 2.245 . . . . 0.0 112.296 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 8.3 pt -109.52 164.96 5.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.101 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.489 ' HB2' ' CD1' ' A' ' 64' ' ' PHE . . . -96.27 147.38 23.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.9 m -143.39 168.07 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.9 mmpt? 41.25 52.09 3.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.471 ' CD1' ' HB3' ' A' ' 64' ' ' PHE . 0.2 OUTLIER -64.01 151.22 43.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 179.903 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.0 p -161.09 123.43 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.138 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.3 tttm -58.5 131.77 51.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.3 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.076 179.906 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.9 mmm-85 . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.765 0.317 . . . . 0.0 110.818 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -102.54 154.74 18.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.5 p -123.83 144.21 49.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.154 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -149.34 -123.3 1.24 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.498 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.3 p -164.07 133.12 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.764 0.316 . . . . 0.0 111.164 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.488 ' CD1' HG12 ' A' ' 33' ' ' ILE . 28.4 mm -62.17 95.75 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -72.8 -43.72 62.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.409 ' HD3' ' N ' ' A' ' 26' ' ' LEU . 5.9 tmtm? -141.78 150.4 41.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.409 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 2.9 tp -144.36 138.76 28.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.9 mp -128.99 -174.77 3.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.93 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 82.9 m -78.61 -24.05 45.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.164 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.9 m -97.69 -41.91 7.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -162.27 -175.69 4.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.902 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.479 ' O ' ' CD1' ' A' ' 44' ' ' PHE . . . -150.96 164.79 30.09 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.499 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -108.79 144.9 36.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.867 0.365 . . . . 0.0 110.867 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.541 HG21 ' CE1' ' A' ' 64' ' ' PHE . 38.4 mt -121.79 117.03 51.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.149 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.09 102.09 10.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.483 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 85.9 m -57.24 126.48 27.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.9 m -89.19 6.01 42.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -109.39 -45.09 3.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.863 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.483 ' HG2' ' CB ' ' A' ' 35' ' ' CYS . 4.4 ptp180 -99.31 -11.4 21.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 62.75 48.78 4.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -135.37 141.19 45.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.533 ' O ' ' CG ' ' A' ' 41' ' ' ARG . 10.9 ptt85 -83.4 102.79 12.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.427 ' CD2' ' O ' ' A' ' 75' ' ' PRO . 12.2 mt -83.22 172.54 12.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.487 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -127.4 105.64 8.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.479 ' CD1' ' O ' ' A' ' 31' ' ' GLY . 2.2 p90 -102.04 140.38 36.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -93.54 141.54 28.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 33.9 m -53.28 -15.59 1.01 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.3 t -80.1 -32.51 39.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.814 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -62.11 -50.65 71.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.954 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -50.96 132.64 27.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.941 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 34.0 m-80 -86.31 -38.98 16.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.46 -141.77 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.475 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.436 ' O ' ' C ' ' A' ' 53' ' ' LEU . 32.8 t-20 -122.02 112.24 18.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.826 0.346 . . . . 0.0 110.898 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 52' ' ' ASN . 4.0 mm? -34.73 -43.37 0.18 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -45.71 -49.07 15.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -65.1 -37.47 87.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.4 tp -69.94 158.27 35.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.942 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.6 pttt -167.29 171.12 10.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 54.6 t -76.45 125.64 36.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.096 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 102.07 19.13 15.45 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.468 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.27 142.26 47.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.831 0.348 . . . . 0.0 110.83 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -76.47 136.33 39.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.451 HG21 ' CD1' ' A' ' 23' ' ' ILE . 1.6 m -147.71 160.77 7.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -116.41 131.66 56.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.541 ' CE1' HG21 ' A' ' 33' ' ' ILE . 18.5 p90 -141.05 176.69 8.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -121.9 120.69 35.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 83.3 t -72.17 114.8 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.111 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.2 m -126.11 175.56 7.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -107.73 130.28 54.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.85 -179.802 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -64.34 168.62 5.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.861 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -103.39 1.35 32.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -119.8 -46.01 2.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 78.4 p -109.53 -8.96 14.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.121 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 55.31 16.97 10.54 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.444 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.2 mmtt -80.94 152.92 72.26 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.565 0.698 . . . . 0.0 110.871 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.427 ' O ' ' CD2' ' A' ' 42' ' ' LEU . 53.5 Cg_endo -69.81 103.08 1.11 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.665 2.244 . . . . 0.0 112.344 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 10.2 pt -114.53 169.37 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -94.68 143.91 26.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.078 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 15.7 m -145.13 160.15 13.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.123 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.7 mtmm 46.29 50.43 12.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.475 ' CD1' ' HB3' ' A' ' 64' ' ' PHE . 0.2 OUTLIER -62.35 155.95 23.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 179.919 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.7 p -164.65 118.81 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.094 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.2 tttm -56.93 132.56 53.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.1 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.104 179.852 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.406 ' NH2' ' O ' ' A' ' 79' ' ' LYS . 11.8 mmm180 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.735 0.302 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.46 ' HG3' ' CG2' ' A' ' 66' ' ' VAL . 11.3 mm-40 -101.94 152.52 20.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 31.7 p -124.3 139.35 53.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.16 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -148.3 -134.03 2.38 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.453 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.424 ' O ' ' N ' ' A' ' 34' ' ' GLN . 7.8 p -152.34 149.65 13.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.817 0.341 . . . . 0.0 111.14 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.456 ' CG2' ' HA ' ' A' ' 58' ' ' VAL . 24.0 mm -79.91 93.69 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -68.71 -46.42 69.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.477 ' HD3' ' N ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -140.28 153.13 46.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.477 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 2.7 tp -143.31 138.19 29.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.9 mp -129.49 -174.51 3.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 63.6 m -78.45 -28.59 46.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.0 m -91.92 -44.73 8.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -158.95 -175.02 5.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.898 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.566 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -148.88 161.53 28.71 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.473 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -103.49 149.08 25.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.899 0.381 . . . . 0.0 110.822 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.574 HG21 ' CE1' ' A' ' 64' ' ' PHE . 26.8 mt -128.43 114.21 33.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.162 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.467 ' NE2' ' HG3' ' A' ' 41' ' ' ARG . 1.8 tp60 -82.07 102.19 10.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.4 m -50.61 146.9 5.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 17.8 m -106.6 -5.98 18.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -104.19 -35.55 7.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.449 ' CD ' ' HB3' ' A' ' 40' ' ' ALA . 10.7 ptm180 -107.59 -15.47 14.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 63.53 42.59 6.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.934 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.449 ' HB3' ' CD ' ' A' ' 38' ' ' ARG . . . -121.61 141.79 50.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.467 ' HG3' ' NE2' ' A' ' 34' ' ' GLN . 12.5 mtm-85 -80.61 99.04 7.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.477 ' CD2' ' O ' ' A' ' 75' ' ' PRO . 9.9 mt -84.72 162.68 19.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.452 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -121.01 111.97 18.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.885 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.566 ' CD2' ' O ' ' A' ' 31' ' ' GLY . 1.9 p90 -106.25 139.61 40.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -94.33 143.39 26.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 11.2 p -52.98 -15.77 0.87 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 43.1 t -80.8 -30.75 35.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 47.4 mm-40 -64.11 -49.78 70.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.955 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -50.97 121.93 6.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -87.52 11.15 15.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.903 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -117.87 -137.5 5.79 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.5 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 53' ' ' LEU . 5.0 t-20 -125.68 104.57 8.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.915 0.388 . . . . 0.0 110.881 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 52' ' ' ASN . 4.1 mm? -34.6 -44.03 0.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -45.26 -48.75 12.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -65.2 -37.47 87.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.8 tp -64.52 165.15 10.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.4 ptmt -167.47 161.32 13.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.456 ' HA ' ' CG2' ' A' ' 23' ' ' ILE . 44.1 t -73.7 116.19 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.127 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 109.7 23.36 6.26 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.441 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -123.4 130.9 53.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.834 0.35 . . . . 0.0 110.867 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -59.1 139.57 56.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.2 m -150.72 142.63 16.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -99.87 138.8 36.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.574 ' CE1' HG21 ' A' ' 33' ' ' ILE . 9.1 p90 -148.06 176.83 9.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -120.83 112.72 19.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.46 ' CG2' ' HG3' ' A' ' 19' ' ' GLU . 90.1 t -69.18 120.79 17.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -132.89 -179.4 5.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 63.6 m -111.3 133.94 53.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.831 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -70.54 169.7 13.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.821 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -106.39 -3.17 21.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 73.1 mmt-85 -112.5 -40.73 4.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 66.5 p -113.42 -19.99 11.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.084 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 66.7 14.87 63.48 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.525 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.7 mttt -83.03 154.41 67.29 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.58 0.705 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.477 ' O ' ' CD2' ' A' ' 42' ' ' LEU . 53.7 Cg_endo -69.77 99.42 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.674 2.249 . . . . 0.0 112.346 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 11.2 pt -109.56 167.26 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -96.72 146.66 24.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.07 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 26.5 m -145.26 159.53 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.406 ' O ' ' NH2' ' A' ' 18' ' ' ARG . 20.7 mttt 46.65 51.43 12.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.46 ' CD1' ' HB3' ' A' ' 64' ' ' PHE . 0.2 OUTLIER -64.27 148.06 51.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 27.6 m -157.34 121.49 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.177 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 17.4 tttm -58.33 129.91 44.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 7.3 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.109 179.912 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.8 mmm-85 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.746 0.308 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -105.79 155.03 19.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 26.8 p -117.88 141.08 48.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.158 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -146.4 -138.48 3.19 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.456 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.485 ' CG1' ' O ' ' A' ' 22' ' ' VAL . 2.0 p -154.52 123.16 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.781 0.325 . . . . 0.0 111.122 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.5 mm -53.33 93.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.09 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -67.15 -39.49 86.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.464 ' CE ' HD12 ' A' ' 27' ' ' LEU . 0.6 OUTLIER -145.48 158.17 43.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.425 ' N ' ' HD2' ' A' ' 25' ' ' LYS . 6.2 tp -144.24 133.07 22.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.468 HD11 ' N ' ' A' ' 27' ' ' LEU . 2.8 mp -126.56 -173.63 2.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.53 -27.58 25.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.2 p -95.05 -23.65 17.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -176.53 -175.05 0.62 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.587 ' HA3' ' CE1' ' A' ' 44' ' ' PHE . . . -148.44 160.83 28.49 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.494 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -105.19 154.71 19.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.827 0.346 . . . . 0.0 110.881 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.576 HD12 ' CD1' ' A' ' 44' ' ' PHE . 43.5 mt -137.54 114.54 12.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.417 ' NE2' ' HG3' ' A' ' 41' ' ' ARG . 3.5 tp60 -83.69 103.9 13.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.452 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 58.4 m -51.78 137.48 25.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 56.3 m -98.64 2.27 47.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -110.85 -41.39 4.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.848 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.452 ' HG2' ' CB ' ' A' ' 35' ' ' CYS . 10.2 ptm180 -101.25 -14.16 17.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 63.83 44.77 4.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -127.3 138.88 53.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.084 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.417 ' HG3' ' NE2' ' A' ' 34' ' ' GLN . 15.4 mtp180 -80.85 102.65 10.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.4 mt -85.45 172.59 10.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.499 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -128.35 106.25 8.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.587 ' CE1' ' HA3' ' A' ' 31' ' ' GLY . 2.2 p90 -102.18 138.14 39.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.866 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -89.82 138.89 31.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 4.1 m -50.77 -17.4 0.54 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.8 t -79.13 -31.82 44.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.407 ' CD ' ' HA ' ' A' ' 78' ' ' VAL . 46.9 mm-40 -59.34 -54.53 45.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -53.59 121.58 8.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -76.86 -41.04 45.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.69 -145.11 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.474 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 53' ' ' LEU . 48.6 t30 -116.64 110.9 19.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.827 0.346 . . . . 0.0 110.875 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 52' ' ' ASN . 4.1 mm? -35.22 -39.47 0.11 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -47.13 -49.06 22.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -63.11 -37.61 87.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.839 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.424 ' C ' ' HG2' ' A' ' 57' ' ' LYS . 9.1 tp -65.98 147.09 53.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.424 ' HG2' ' C ' ' A' ' 56' ' ' LEU . 9.3 mtmt -148.21 164.71 33.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 39.9 t -80.59 99.62 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 130.7 -1.39 5.57 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.464 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -95.11 157.91 15.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.813 0.339 . . . . 0.0 110.823 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.02 138.76 32.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.421 ' CG1' HD13 ' A' ' 56' ' ' LEU . 0.9 OUTLIER -152.08 142.48 15.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.077 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -99.32 130.44 45.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.864 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.552 ' CE1' HG21 ' A' ' 33' ' ' ILE . 15.7 p90 -138.63 176.76 8.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -122.07 121.92 38.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.5 t -70.67 118.59 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.106 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.5 178.09 5.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.875 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 28.2 p -126.97 128.22 46.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -65.66 172.21 3.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -107.67 -3.97 18.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.1 mtp180 -109.8 -38.45 5.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 16.6 p -118.08 -15.19 9.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.106 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 60.39 15.85 40.52 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.477 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 35.0 mmtm -77.34 152.3 81.39 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.596 0.712 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 105.58 1.51 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.705 2.27 . . . . 0.0 112.365 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 20.6 pt -115.97 148.86 18.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -84.71 143.13 29.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.055 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.407 ' HA ' ' CD ' ' A' ' 48' ' ' GLN . 30.3 m -145.97 164.7 9.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.118 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 6.3 mmtp 46.83 48.19 15.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.477 ' CD1' ' HB3' ' A' ' 64' ' ' PHE . 0.2 OUTLIER -61.9 154.07 27.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.955 179.898 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 5.2 m -158.47 126.05 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 25.4 tttp -65.09 124.08 21.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.938 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 5.2 mt . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 179.889 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.2 mmm-85 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.823 0.344 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -95.29 153.75 17.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.3 p -126.31 142.93 51.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.139 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -153.46 -131.41 1.59 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.492 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.45 ' CG1' ' HB3' ' A' ' 34' ' ' GLN . 9.4 p -151.79 149.05 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.813 0.339 . . . . 0.0 111.111 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.473 ' CG2' ' HA ' ' A' ' 58' ' ' VAL . 3.4 mm -76.12 95.23 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -68.75 -47.02 67.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.453 ' HD3' ' N ' ' A' ' 26' ' ' LEU . 1.3 tmtt? -143.74 151.66 40.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.453 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 2.5 tp -140.74 138.51 34.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.473 HD11 ' N ' ' A' ' 27' ' ' LEU . 3.9 mp -126.15 -174.57 3.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.9 m -81.82 -18.5 43.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.202 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.7 t -105.33 -39.93 6.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -159.35 -175.41 5.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.951 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.493 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -154.16 161.81 30.23 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.503 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -106.14 147.29 29.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.861 0.363 . . . . 0.0 110.863 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.495 HG23 ' CZ ' ' A' ' 64' ' ' PHE . 24.2 mt -125.63 115.52 43.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.112 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.45 ' HB3' ' CG1' ' A' ' 22' ' ' VAL . 1.1 tp60 -73.42 109.41 6.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 72.1 m -64.42 132.18 49.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 68.3 m -96.53 3.78 52.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -107.58 -42.23 4.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.464 ' CZ ' ' HB2' ' A' ' 38' ' ' ARG . 3.3 ptm85 -105.33 -9.32 17.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 62.33 46.56 5.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -133.57 139.85 46.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.09 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.502 ' O ' ' CG ' ' A' ' 41' ' ' ARG . 12.7 ptt85 -79.53 105.28 10.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.2 mt -82.55 170.97 14.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.519 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -126.36 103.94 7.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.493 ' CD2' ' O ' ' A' ' 31' ' ' GLY . 1.8 p90 -99.43 139.69 34.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -93.77 141.46 28.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 17.3 p -50.08 -19.26 0.7 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 40.0 t -76.66 -33.44 58.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 49.0 mm-40 -61.63 -52.62 63.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.928 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -53.84 126.87 23.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.952 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -77.16 -46.63 22.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -60.66 -141.62 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.546 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -123.58 113.29 18.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.878 0.37 . . . . 0.0 110.848 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -39.13 -40.2 0.68 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.8 mm100 -46.62 -46.39 19.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.937 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -69.85 -37.43 76.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.2 tp -58.73 160.28 5.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.4 pttt -164.13 160.43 21.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.473 ' HA ' ' CG2' ' A' ' 23' ' ' ILE . 90.1 t -76.08 128.13 37.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.145 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 105.09 16.7 15.84 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.505 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -121.61 139.33 53.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.834 0.35 . . . . 0.0 110.855 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.08 143.32 55.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -152.35 144.24 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -101.02 136.97 40.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.495 ' CZ ' HG23 ' A' ' 33' ' ' ILE . 14.6 p90 -148.82 176.74 10.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.916 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -122.42 121.57 36.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 86.5 t -72.66 124.03 28.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.15 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.9 t -133.54 177.32 7.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.858 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 71.2 m -109.82 132.63 53.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.871 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -68.27 171.59 6.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -108.5 3.26 22.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 73.4 mtm-85 -117.88 -40.73 2.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.925 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 19.9 p -118.01 -15.68 9.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.192 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 65.08 15.83 61.19 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.501 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.1 mmtp -78.11 152.64 79.52 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.578 0.704 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 101.12 0.88 Allowed 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.689 2.259 . . . . 0.0 112.33 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 10.0 pt -112.08 167.81 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -94.77 149.84 20.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.075 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.1 m -149.24 158.48 6.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.159 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.6 mmtt 49.09 47.66 21.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.901 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.472 ' CD1' ' HB3' ' A' ' 64' ' ' PHE . 0.2 OUTLIER -61.01 153.49 25.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.917 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 9.7 p -160.17 122.83 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.4 tttm -62.72 121.74 14.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.9 mt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.169 179.863 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 31.1 mmm-85 . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.774 0.321 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -97.21 151.47 19.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 34.2 p -117.84 141.42 48.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -148.57 -138.96 3.08 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.507 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.4 p -150.99 139.24 14.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.79 0.329 . . . . 0.0 111.16 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.468 ' CD1' HG23 ' A' ' 62' ' ' VAL . 14.2 mm -66.23 90.5 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -63.42 -50.13 71.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.428 ' HD3' ' N ' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -142.2 155.42 45.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.943 179.906 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.428 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 2.5 tp -141.81 139.48 32.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.916 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.1 mp -126.81 -174.35 3.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 38.6 m -82.88 -13.12 56.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.099 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.9 m -111.42 -41.6 4.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -155.32 -175.01 5.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.587 ' O ' ' CD1' ' A' ' 44' ' ' PHE . . . -153.22 160.33 29.08 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.441 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -104.83 155.09 19.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.824 0.345 . . . . 0.0 110.904 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.574 HG23 ' CE1' ' A' ' 64' ' ' PHE . 33.2 mt -133.88 116.03 22.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.163 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -82.24 91.7 6.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.469 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 8.5 m -39.09 145.49 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.8 m -101.58 -8.38 21.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -104.63 -40.5 5.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.935 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.494 ' O ' ' NE2' ' A' ' 39' ' ' GLN . 11.2 ptm180 -104.94 6.62 33.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.494 ' NE2' ' O ' ' A' ' 38' ' ' ARG . 1.6 pp0? 37.02 49.29 0.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.942 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.67 135.92 53.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.07 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.9 mtt-85 -74.21 96.47 2.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.1 mt -83.2 170.11 15.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.468 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -128.05 111.33 13.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.922 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.587 ' CD1' ' O ' ' A' ' 31' ' ' GLY . 2.1 p90 -107.24 141.3 38.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -94.46 141.92 28.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.848 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 12.8 p -53.61 -15.15 1.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.6 t -81.9 -29.18 32.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.818 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 58.4 mm-40 -64.04 -51.05 65.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.426 ' CE2' ' N ' ' A' ' 52' ' ' ASN . 16.3 t80 -53.76 123.43 12.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -76.4 -35.41 58.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.47 -136.73 0.12 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.485 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 53' ' ' LEU . 7.0 t-20 -129.97 110.51 11.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.822 0.344 . . . . 0.0 110.885 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 52' ' ' ASN . 2.6 mm? -34.16 -46.8 0.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 74.1 mm-40 -41.7 -49.26 4.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -65.05 -35.33 80.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.462 HD13 ' CG1' ' A' ' 62' ' ' VAL . 10.8 tp -69.3 162.24 27.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.1 pttt -162.7 162.85 27.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 25.2 t -74.53 122.31 27.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 104.72 21.71 8.96 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.482 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -121.75 144.84 48.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.826 0.346 . . . . 0.0 110.829 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.41 144.18 48.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.468 HG23 ' CD1' ' A' ' 23' ' ' ILE . 0.9 OUTLIER -157.18 142.47 8.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.129 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -97.29 138.21 35.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.574 ' CE1' HG23 ' A' ' 33' ' ' ILE . 4.7 p90 -148.46 176.78 10.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -122.66 119.16 29.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 80.3 t -72.56 119.15 18.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.119 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.1 t -131.68 177.78 7.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.6 t -109.86 138.81 45.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -75.97 167.12 22.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.855 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -103.19 -1.27 29.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -113.77 -40.64 3.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 56.4 p -114.66 -17.05 11.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.107 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 63.54 16.27 58.42 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.48 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 34.0 mttt -83.39 154.07 65.9 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.527 0.68 . . . . 0.0 110.934 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 99.33 0.74 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.665 2.243 . . . . 0.0 112.349 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 9.6 pt -110.27 164.75 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -92.48 144.29 25.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 16.9 m -145.07 156.1 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.094 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.5 mtmm 52.69 50.55 17.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.467 ' CD1' ' HB3' ' A' ' 64' ' ' PHE . 0.2 OUTLIER -65.33 149.65 49.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 30.0 m -156.79 130.51 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 6.5 tttm -65.44 132.86 50.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.0 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.16 179.807 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.445 ' NH2' ' O ' ' A' ' 79' ' ' LYS . 10.7 mmm180 . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.78 0.324 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -110.45 152.71 25.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.4 p -123.21 148.53 45.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -151.52 -131.46 1.77 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.459 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.4 p -156.93 130.82 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.787 0.327 . . . . 0.0 111.142 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.445 HD13 ' CG2' ' A' ' 62' ' ' VAL . 27.7 mm -61.19 92.71 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -71.19 -41.01 70.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.481 ' HD3' ' N ' ' A' ' 26' ' ' LEU . 7.3 tmtm? -144.44 152.97 41.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.481 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 3.6 tp -145.84 136.84 24.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.461 ' N ' HD12 ' A' ' 27' ' ' LEU . 2.6 mp -129.57 -174.72 3.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.915 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 92.8 m -77.81 -31.07 51.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.154 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -89.38 -43.81 10.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.872 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -161.97 -178.66 6.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.938 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.515 ' O ' ' CD1' ' A' ' 44' ' ' PHE . . . -144.4 166.12 27.31 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.492 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -109.3 148.92 30.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.819 0.342 . . . . 0.0 110.883 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.431 ' CD1' HD12 ' A' ' 80' ' ' LEU . 37.1 mt -126.59 117.13 47.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.185 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.467 ' NE2' ' HG3' ' A' ' 41' ' ' ARG . 3.7 tp60 -85.76 91.5 8.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.479 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 13.9 m -42.32 145.42 0.39 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.7 m -103.83 -3.95 24.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -106.62 -41.27 5.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.916 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.509 ' O ' ' CG ' ' A' ' 39' ' ' GLN . 14.7 ptp180 -102.06 -2.9 28.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.509 ' CG ' ' O ' ' A' ' 38' ' ' ARG . 15.6 pt20 47.76 43.08 16.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.948 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.65 134.97 54.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.467 ' HG3' ' NE2' ' A' ' 34' ' ' GLN . 34.4 mtm180 -74.29 98.75 3.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.803 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.475 HD12 ' CE1' ' A' ' 64' ' ' PHE . 11.2 mt -85.5 161.77 19.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.495 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -122.19 110.26 15.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.911 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.515 ' CD1' ' O ' ' A' ' 31' ' ' GLY . 2.5 p90 -104.82 140.33 38.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -94.13 141.18 28.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 6.6 p -51.66 -19.72 1.7 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 48.2 t -76.08 -33.11 59.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 58.8 mm-40 -61.02 -51.33 69.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -53.52 130.09 34.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -79.47 -46.11 18.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -63.35 -139.41 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.485 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' ' 53' ' ' LEU . 4.4 m120 -124.7 110.5 14.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.836 0.351 . . . . 0.0 110.899 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 52' ' ' ASN . 4.1 mm? -34.25 -38.86 0.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.919 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 19.6 mm100 -45.89 -50.04 14.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -64.3 -37.5 87.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.9 tp -63.98 155.45 30.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.2 pttt -158.27 162.86 37.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 52.9 t -75.32 129.13 37.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.12 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.7 19.89 18.68 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -120.14 154.72 34.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.813 0.339 . . . . 0.0 110.857 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -82.45 141.99 32.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.805 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.445 ' CG2' HD13 ' A' ' 23' ' ' ILE . 0.7 OUTLIER -153.67 143.02 14.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -99.59 133.97 43.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.475 ' CE1' HD12 ' A' ' 42' ' ' LEU . 25.5 p90 -143.0 174.49 10.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -121.01 119.58 32.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 98.3 t -72.68 126.43 33.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.17 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.1 t -134.14 176.55 8.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.834 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.4 p -114.13 107.86 16.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.868 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.424 ' HA ' ' NH2' ' A' ' 70' ' ' ARG . 28.7 t70 -49.23 168.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.854 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.424 ' NH2' ' HA ' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -105.72 -16.73 14.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.903 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 49.0 mmt-85 -94.89 -52.4 4.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 45.6 p -100.44 -21.52 15.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 66.3 16.68 65.19 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.7 mtmt -87.43 154.59 54.05 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.605 0.717 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.77 101.91 0.97 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.696 2.264 . . . . 0.0 112.316 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.0 pt -115.59 163.38 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.171 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.417 ' HB1' ' CD1' ' A' ' 64' ' ' PHE . . . -92.13 146.67 23.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 10.4 m -143.06 161.59 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.445 ' O ' ' NH2' ' A' ' 18' ' ' ARG . 12.3 mtmm 46.4 50.06 12.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.859 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.471 ' CD1' ' HB3' ' A' ' 64' ' ' PHE . 0.2 OUTLIER -61.05 147.45 43.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.952 179.883 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.2 m -155.12 120.54 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.165 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.3 tttt -59.64 131.35 50.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.5 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.137 179.859 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.408 ' NH2' HG21 ' A' ' 81' ' ' VAL . 37.9 mmm-85 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.801 0.334 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -103.38 154.81 19.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 53.5 p -122.68 139.99 53.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.108 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -149.44 -134.71 2.37 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.48 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.513 ' O ' ' N ' ' A' ' 34' ' ' GLN . 9.8 p -152.35 144.31 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.804 0.335 . . . . 0.0 111.123 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.472 ' CG2' ' HA ' ' A' ' 58' ' ' VAL . 9.9 mm -74.47 94.08 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.181 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -70.13 -44.08 69.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.477 ' HD3' ' N ' ' A' ' 26' ' ' LEU . 8.2 tmtm? -141.29 150.73 42.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.477 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 2.5 tp -144.62 139.84 28.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.939 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.7 mp -133.92 -175.69 3.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.2 m -77.22 -28.67 53.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.6 m -91.07 -42.07 10.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.821 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -164.59 -176.56 4.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.936 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.583 ' O ' ' CD1' ' A' ' 44' ' ' PHE . . . -153.04 162.04 29.91 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.531 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -102.54 158.26 16.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.827 0.346 . . . . 0.0 110.887 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.57 HG23 ' CE1' ' A' ' 64' ' ' PHE . 46.2 mt -137.45 107.94 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.072 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.513 ' N ' ' O ' ' A' ' 22' ' ' VAL . 0.3 OUTLIER -71.96 101.5 2.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 179.896 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.474 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 1.1 t -52.34 140.42 21.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 73.4 m -96.04 8.43 43.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -121.4 -40.46 2.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.489 ' NE ' ' CB ' ' A' ' 40' ' ' ALA . 5.9 ptm180 -102.44 -1.87 29.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 46.33 52.08 10.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.489 ' CB ' ' NE ' ' A' ' 38' ' ' ARG . . . -136.09 132.92 36.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.502 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 16.0 ptt85 -73.98 100.35 3.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.863 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.6 mt -81.1 167.87 19.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.48 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -120.78 104.61 10.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.583 ' CD1' ' O ' ' A' ' 31' ' ' GLY . 1.9 p90 -103.36 136.5 43.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.88 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -87.71 139.28 30.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 30.6 m -52.9 -15.77 0.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 40.5 t -78.89 -32.59 45.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.9 mm-40 -60.82 -53.09 61.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.926 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -50.44 124.78 11.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -78.74 -38.59 38.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.84 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -64.74 -138.56 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.505 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' ' 53' ' ' LEU . 3.6 p-10 -128.32 111.87 13.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.885 0.374 . . . . 0.0 110.886 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 52' ' ' ASN . 4.1 mm? -34.23 -42.78 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -44.52 -49.53 9.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -67.2 -37.27 83.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.441 HD12 ' CG1' ' A' ' 62' ' ' VAL . 11.0 tp -67.98 149.01 50.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.9 pttt -156.29 164.57 38.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.472 ' HA ' ' CG2' ' A' ' 23' ' ' ILE . 85.4 t -75.23 118.86 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.106 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 110.51 19.83 7.69 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.512 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -122.14 139.76 53.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.783 0.325 . . . . 0.0 110.876 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -67.4 138.6 56.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.441 ' CG1' HD12 ' A' ' 56' ' ' LEU . 1.6 m -151.85 141.69 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.158 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -98.84 132.24 44.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.57 ' CE1' HG23 ' A' ' 33' ' ' ILE . 20.0 p90 -141.92 176.78 8.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.837 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -122.27 127.69 50.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.863 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 90.8 t -80.4 115.9 23.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.13 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.8 m -127.6 178.98 5.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 41.7 p -112.39 135.89 52.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -71.25 168.98 16.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.846 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -99.57 2.5 44.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 32.6 mtp180 -117.16 -49.91 2.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.406 ' OG1' ' CG ' ' A' ' 74' ' ' LYS . 11.6 p -110.56 -12.33 14.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.168 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 60.86 10.68 20.44 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.482 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.406 ' CG ' ' OG1' ' A' ' 72' ' ' THR . 17.9 mmtp -68.09 152.08 96.73 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.574 0.702 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 100.21 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.663 2.242 . . . . 0.0 112.357 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 10.9 pt -112.51 165.47 7.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.189 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -92.31 148.55 22.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 28.2 m -149.74 157.39 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.122 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 23.3 mtmt 51.36 47.05 25.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.475 ' CD1' ' HB3' ' A' ' 64' ' ' PHE . 0.2 OUTLIER -59.7 152.52 22.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.905 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.434 ' CG1' ' O ' ' A' ' 80' ' ' LEU . 13.5 m -161.35 120.73 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.11 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -60.14 128.19 35.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.5 mt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.917 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.7 mmm-85 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.758 0.313 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -103.03 154.35 19.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 39.3 p -120.52 142.49 49.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.161 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -151.05 -136.04 2.44 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.497 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.468 ' O ' ' N ' ' A' ' 34' ' ' GLN . 9.9 p -151.47 146.02 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.76 0.314 . . . . 0.0 111.151 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.462 ' CG2' ' HA ' ' A' ' 58' ' ' VAL . 13.9 mm -79.0 95.92 2.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -71.38 -46.3 60.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.474 ' HD3' ' N ' ' A' ' 26' ' ' LEU . 0.5 OUTLIER -136.11 154.32 51.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.474 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 4.5 tp -146.13 136.15 23.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.944 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.429 ' N ' HD12 ' A' ' 27' ' ' LEU . 3.6 mp -127.65 -175.48 3.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.5 m -80.31 -25.78 39.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.119 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.0 t -96.0 -37.98 10.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -163.21 -176.32 4.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.556 ' O ' ' CD1' ' A' ' 44' ' ' PHE . . . -150.25 162.74 29.33 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.492 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -106.12 150.24 26.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.779 0.323 . . . . 0.0 110.886 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.54 HD13 ' CD1' ' A' ' 44' ' ' PHE . 30.4 mt -129.82 113.31 26.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 22' ' ' VAL . 7.5 tp60 -77.43 101.74 6.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 6.9 m -53.86 147.51 11.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.4 m -111.07 -4.7 14.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -104.03 -41.8 5.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -100.37 -10.67 20.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 59.47 49.03 9.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -137.18 136.14 37.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.113 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.2 mtm180 -74.21 104.67 5.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.3 mt -86.62 160.94 18.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.513 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -118.15 106.6 13.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 179.919 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.556 ' CD1' ' O ' ' A' ' 31' ' ' GLY . 2.3 p90 -101.88 140.97 35.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -94.56 139.79 30.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 21.1 m -51.61 -20.95 2.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 40.2 t -75.29 -32.65 61.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.8 mm-40 -60.95 -53.34 58.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.936 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -52.0 120.22 5.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 -74.5 -38.17 62.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -63.81 -142.01 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.477 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.43 ' O ' ' C ' ' A' ' 53' ' ' LEU . 1.3 p-10 -125.2 112.96 17.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.828 0.347 . . . . 0.0 110.921 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' A' ' 52' ' ' ASN . 4.0 mm? -35.87 -38.67 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.957 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -47.78 -48.79 30.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.25 -35.09 75.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.4 tp -69.99 152.94 43.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.438 ' CG ' ' OD2' ' A' ' 60' ' ' ASP . 12.0 ptpt -157.75 176.7 12.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.462 ' HA ' ' CG2' ' A' ' 23' ' ' ILE . 86.8 t -87.97 123.49 40.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.127 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 103.74 21.37 9.76 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.535 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.438 ' OD2' ' CG ' ' A' ' 57' ' ' LYS . 45.1 m-20 -121.7 145.92 47.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.833 0.349 . . . . 0.0 110.829 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.54 137.27 47.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.6 m -151.34 141.84 15.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -99.97 133.77 43.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.472 ' HB3' ' CD1' ' A' ' 80' ' ' LEU . 13.7 p90 -141.96 176.74 8.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -122.86 119.67 31.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 67.0 t -72.41 119.84 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.108 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.1 m -123.7 176.37 6.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 53.5 p -115.32 108.81 17.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -47.32 173.93 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.573 ' HE ' ' N ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -111.69 -12.88 13.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.941 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.3 mmt85 -98.61 -46.71 5.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 58.4 p -109.51 -16.22 14.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.186 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 64.0 15.79 58.77 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.0 mmtm -82.51 152.6 67.29 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.559 0.695 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 107.89 1.95 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.667 2.245 . . . . 0.0 112.382 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 12.1 pt -119.89 166.34 14.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.198 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.56 150.42 21.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 31.6 m -151.69 154.52 8.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 22.5 mttt 52.1 46.07 27.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.472 ' CD1' ' HB3' ' A' ' 64' ' ' PHE . 0.2 OUTLIER -57.91 152.28 16.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.939 179.928 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -156.87 123.37 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.164 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 15.5 tttp -63.9 125.99 26.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.8 mt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.168 179.856 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.5 mmm-85 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.755 0.312 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -95.55 154.73 17.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 20.9 p -126.11 140.77 52.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -151.42 -130.27 1.64 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.491 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.9 p -153.14 143.33 14.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.782 0.325 . . . . 0.0 111.13 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.444 ' CG2' ' HA ' ' A' ' 58' ' ' VAL . 4.1 mm -68.28 94.98 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.451 ' OE1' ' CB ' ' A' ' 34' ' ' GLN . 15.4 tp10 -68.02 -48.54 65.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -141.19 153.33 45.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.0 tp -143.04 138.5 30.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.983 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.8 mp -126.5 -175.01 3.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 55.9 m -80.63 -16.69 53.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.3 m -106.47 -39.3 5.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -162.39 -178.97 6.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.592 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -148.11 161.44 28.59 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.467 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.443 ' CE2' ' HB2' ' A' ' 43' ' ' PHE . 71.0 m-85 -107.02 146.17 31.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.786 0.327 . . . . 0.0 110.894 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.477 HD11 ' CD2' ' A' ' 44' ' ' PHE . 19.5 mt -123.06 119.77 58.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.123 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.451 ' CB ' ' OE1' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -79.83 103.89 10.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.914 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.47 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 69.0 m -59.92 116.05 3.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.2 m -80.88 5.96 14.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -108.91 -45.15 3.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.926 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.476 ' CD ' ' HB2' ' A' ' 40' ' ' ALA . 7.2 ptm180 -98.4 -10.52 23.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.902 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 63.12 45.91 4.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.476 ' HB2' ' CD ' ' A' ' 38' ' ' ARG . . . -135.96 143.5 44.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.082 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.508 ' O ' ' CG ' ' A' ' 41' ' ' ARG . 10.2 ptt85 -84.59 104.71 14.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.49 HD12 ' CE1' ' A' ' 64' ' ' PHE . 10.8 mt -83.71 172.15 12.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.544 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -127.02 106.17 9.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.875 179.897 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.592 ' CD2' ' O ' ' A' ' 31' ' ' GLY . 1.8 p90 -101.5 140.41 35.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -94.56 140.98 29.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.829 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 16.2 p -51.99 -19.08 1.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 35.0 t -78.08 -31.31 50.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -62.67 -50.41 71.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.931 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -55.1 127.6 29.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.932 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -77.76 -36.29 50.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -73.07 -142.56 0.53 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.46 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -122.21 118.95 29.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.798 0.332 . . . . 0.0 110.908 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.431 ' N ' HD23 ' A' ' 53' ' ' LEU . 4.0 mm? -44.7 -33.31 1.8 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.936 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -52.53 -41.77 63.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -73.01 -36.11 66.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.2 tp -65.35 163.56 15.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.0 ptmm? -167.34 162.16 14.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.854 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.444 ' HA ' ' CG2' ' A' ' 23' ' ' ILE . 42.9 t -76.51 118.35 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 114.48 16.69 7.47 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.495 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -122.41 147.64 46.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.823 0.344 . . . . 0.0 110.843 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.53 143.85 44.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -154.44 142.92 13.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -97.93 137.5 36.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.49 ' CE1' HD12 ' A' ' 42' ' ' LEU . 39.2 p90 -147.9 176.69 9.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -123.13 129.01 50.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 84.8 t -80.25 117.55 26.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.168 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.1 t -132.05 176.51 8.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.7 p -109.47 133.46 53.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -67.24 169.36 8.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -102.33 -0.11 33.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.856 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.407 ' NH1' ' HB3' ' A' ' 71' ' ' ARG . 3.4 mmm180 -117.65 -40.31 3.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 67.3 p -117.4 -9.84 10.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 54.95 19.76 16.46 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.479 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.2 mmmt -79.1 153.34 77.22 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.563 0.697 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 95.91 0.57 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.673 2.248 . . . . 0.0 112.37 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 9.4 pt -110.17 168.61 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -94.25 153.12 18.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.0 m -152.84 157.89 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.119 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.4 mmpt? 50.76 48.13 23.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.474 ' CD1' ' HB3' ' A' ' 64' ' ' PHE . 0.2 OUTLIER -60.7 157.25 15.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.878 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.468 ' CG1' ' O ' ' A' ' 80' ' ' LEU . 3.4 m -164.85 122.47 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.092 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 25.4 tttt -61.96 124.41 20.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.3 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 179.906 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -158.58 175.32 13.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.894 0.378 . . . . 0.0 110.882 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.2 p -115.32 171.01 7.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.817 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.79 158.51 7.83 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.484 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.3 m -119.11 82.37 1.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.928 0.394 . . . . 0.0 110.885 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.7 p 45.34 43.69 8.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.873 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 44.36 -114.49 1.05 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.488 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -152.77 83.76 0.16 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.455 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.523 ' HA ' ' C ' ' A' ' 10' ' ' PRO . 5.3 p90 -38.34 156.82 0.11 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.655 0.74 . . . . 0.0 110.902 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 9' ' ' TYR . 53.6 Cg_endo -69.77 150.35 90.03 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.698 -1.792 . . . . 0.0 112.371 -0.067 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -107.02 160.64 15.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 63.28 158.98 0.2 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.466 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 92.3 m -46.02 -56.84 5.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.832 0.348 . . . . 0.0 111.108 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 73.2 m -73.46 112.87 9.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.22 178.34 8.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.085 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -106.71 121.33 44.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.058 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -104.15 123.7 47.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -92.65 133.32 36.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.472 ' OE1' ' CG2' ' A' ' 66' ' ' VAL . 13.0 mt-10 -106.08 154.14 21.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.1 p -129.64 138.64 51.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.131 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -149.05 -124.59 1.35 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.494 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.8 p -158.01 151.28 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.848 0.356 . . . . 0.0 111.118 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.471 ' CG2' ' HA ' ' A' ' 58' ' ' VAL . 8.5 mm -78.81 93.2 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.145 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -69.18 -48.18 62.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.461 ' HD3' ' N ' ' A' ' 26' ' ' LEU . 6.6 tmtm? -135.62 152.07 50.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.461 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 2.6 tp -145.5 138.77 26.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.462 HD11 ' N ' ' A' ' 27' ' ' LEU . 3.1 mp -131.49 -177.41 4.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.958 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 88.2 m -76.54 -25.41 54.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 t -94.81 -40.64 9.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.833 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -165.54 -175.02 3.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.418 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -150.24 166.09 29.98 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.521 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.401 ' CD1' ' N ' ' A' ' 32' ' ' PHE . 6.4 m-85 -111.37 143.5 42.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.825 0.345 . . . . 0.0 110.905 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.569 HG21 ' CE1' ' A' ' 64' ' ' PHE . 21.9 mt -120.05 117.8 54.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.42 103.0 7.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.921 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.471 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 74.3 m -60.1 117.36 5.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.8 m -85.9 10.79 12.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -112.41 -42.32 3.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.474 ' HB2' ' CZ ' ' A' ' 38' ' ' ARG . 3.1 ptm85 -102.62 -7.22 21.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 63.08 38.86 10.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -130.16 144.25 51.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.09 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.501 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 8.8 ptt85 -85.76 110.51 19.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.421 HD11 ' CE2' ' A' ' 64' ' ' PHE . 10.4 mt -88.9 166.76 13.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.544 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -123.25 103.78 8.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.427 ' CD2' HD12 ' A' ' 33' ' ' ILE . 2.3 p90 -98.74 139.48 34.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -92.95 141.8 28.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.83 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 14.0 p -49.11 -21.8 0.81 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.1 t -75.65 -33.02 60.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 42.0 mm-40 -58.87 -53.45 58.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -52.96 124.07 13.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.454 ' ND2' HG13 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -76.28 -41.73 47.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.404 ' H ' ' ND2' ' A' ' 50' ' ' ASN . . . -66.63 -140.44 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.479 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 53' ' ' LEU . 1.4 p-10 -124.23 111.91 16.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.891 0.376 . . . . 0.0 110.86 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 52' ' ' ASN . 4.1 mm? -36.87 -36.33 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.931 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.9 mm100 -46.55 -48.16 19.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -68.18 -38.08 81.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.7 tp -63.1 158.55 19.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.941 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -161.14 165.03 30.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.471 ' HA ' ' CG2' ' A' ' 23' ' ' ILE . 39.4 t -77.97 114.49 18.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 114.64 21.73 5.32 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.476 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -125.41 139.35 53.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.851 0.358 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -66.86 145.85 55.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -154.81 142.39 12.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.092 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -97.32 136.61 37.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.929 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.569 ' CE1' HG21 ' A' ' 33' ' ' ILE . 18.2 p90 -147.88 176.33 10.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -121.4 122.15 39.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.472 ' CG2' ' OE1' ' A' ' 19' ' ' GLU . 96.5 t -73.71 119.85 21.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.151 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.7 m -127.4 176.97 7.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.82 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.9 m -117.53 119.76 36.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -58.06 174.7 0.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.836 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.575 ' HE ' ' N ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -112.23 -12.05 13.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.883 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.1 mtm105 -99.74 -37.9 8.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 18.4 p -118.54 -16.46 9.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.159 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 63.22 16.99 58.67 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.462 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.6 mmtp -83.27 152.0 63.83 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.581 0.705 . . . . 0.0 110.936 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 102.59 1.05 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.724 2.283 . . . . 0.0 112.317 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.2 pt -116.3 158.19 16.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.116 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -86.47 153.64 21.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.054 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.4 m -151.48 159.56 4.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.17 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? 47.05 48.26 15.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.498 ' CD1' ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -59.51 150.42 26.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.948 179.89 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.454 HG13 ' ND2' ' A' ' 50' ' ' ASN . 5.8 m -156.74 121.89 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.6 tttt -58.52 131.07 49.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.9 mt -69.97 -50.16 50.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.119 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 86.4 p -79.94 119.1 22.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 150.71 65.64 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.543 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 3.59 2.68 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.677 2.251 . . . . 0.0 112.311 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.4 m -56.02 142.51 35.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.7 t -56.77 175.18 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.816 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.506 179.978 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.9 t -125.59 128.18 47.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.897 0.379 . . . . 0.0 110.869 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.1 p -58.93 100.88 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.836 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.44 137.05 19.12 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.476 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.0 m -117.79 82.65 1.86 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.836 0.351 . . . . 0.0 110.886 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m -103.96 112.02 24.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 46.83 -104.98 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.437 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 100.66 61.32 0.8 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.534 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.514 ' HA ' ' C ' ' A' ' 10' ' ' PRO . 2.8 p90 -95.97 157.9 35.05 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.658 0.742 . . . . 0.0 110.976 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 9' ' ' TYR . 54.4 Cg_endo -69.75 142.9 72.21 Favored 'Cis proline' 0 C--N 1.341 0.176 0 C-N-CA 122.629 -1.821 . . . . 0.0 112.357 -0.109 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -47.94 118.19 2.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.835 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -150.05 -140.41 3.22 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.488 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 72.5 p -80.06 160.19 25.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.787 0.327 . . . . 0.0 111.168 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.1 m -50.37 172.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.831 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.27 -179.11 0.73 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.078 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -78.32 170.14 17.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.07 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.525 ' CD2' ' C ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -171.39 144.91 2.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.452 ' N ' HD21 ' A' ' 17' ' ' LEU . 28.8 mmm-85 -77.75 120.9 23.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -95.89 154.81 17.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 24.4 p -122.94 145.26 48.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.107 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -151.24 -133.63 2.06 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.493 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.8 p -154.08 136.92 7.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.818 0.342 . . . . 0.0 111.14 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.447 ' CG2' ' HA ' ' A' ' 58' ' ' VAL . 22.6 mm -68.8 92.68 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.144 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.409 ' C ' HG11 ' A' ' 58' ' ' VAL . 2.6 tp10 -69.61 -39.41 77.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.468 ' HD3' ' N ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -142.49 154.54 44.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.468 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 4.3 tp -147.77 136.2 21.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.437 ' N ' HD12 ' A' ' 27' ' ' LEU . 4.2 mp -127.53 -175.08 3.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 43.0 m -78.47 -28.5 46.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.185 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.4 m -92.8 -41.3 10.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -161.65 -176.22 5.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.93 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.513 ' O ' ' CD1' ' A' ' 44' ' ' PHE . . . -148.26 166.13 29.02 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.483 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -107.56 155.65 19.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.827 0.346 . . . . 0.0 110.873 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.549 HG23 ' CZ ' ' A' ' 64' ' ' PHE . 27.6 mt -135.42 112.99 14.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.15 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -79.72 94.7 5.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.466 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 84.9 m -42.69 135.46 2.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.5 m -97.1 1.69 50.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.874 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -110.05 -41.31 4.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.466 ' HG2' ' CB ' ' A' ' 35' ' ' CYS . 9.4 ptm180 -103.72 -1.49 27.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.44 ' OE1' ' C ' ' A' ' 38' ' ' ARG . 3.2 mp0 51.12 47.86 24.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.959 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -127.68 144.67 51.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.078 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.6 mtt180 -84.25 100.28 11.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.415 ' CD2' ' O ' ' A' ' 75' ' ' PRO . 8.4 mt -85.15 168.34 14.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.547 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -126.61 106.6 9.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.526 ' CD1' HD13 ' A' ' 33' ' ' ILE . 2.4 p90 -101.53 140.17 36.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -93.1 140.72 29.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 8.7 p -53.17 -15.67 0.97 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.906 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.7 m -80.77 -31.44 35.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 66.1 mm-40 -63.12 -49.67 73.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.451 ' CE2' ' N ' ' A' ' 52' ' ' ASN . 14.1 t80 -52.61 127.77 23.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.951 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -82.84 -32.14 27.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.855 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.14 -133.8 0.16 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.46 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.485 ' N ' ' OD1' ' A' ' 52' ' ' ASN . 0.5 OUTLIER -131.91 110.59 10.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.895 0.379 . . . . 0.0 110.866 -179.909 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -39.49 -47.01 1.8 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.465 ' CG ' ' HB2' ' A' ' 52' ' ' ASN . 7.5 pt20 -43.66 -42.41 5.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -73.34 -34.88 65.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.1 tp -65.6 162.64 17.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.3 pttt -162.48 159.74 25.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.447 ' HA ' ' CG2' ' A' ' 23' ' ' ILE . 99.7 t -74.75 120.25 23.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 112.79 16.4 8.63 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.488 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -120.5 141.29 50.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.825 0.345 . . . . 0.0 110.878 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -68.88 144.87 54.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -156.03 142.25 10.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -97.72 136.71 37.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.549 ' CZ ' HG23 ' A' ' 33' ' ' ILE . 13.6 p90 -148.27 176.66 10.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.859 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -121.44 121.55 37.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 86.8 t -73.17 123.17 27.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.107 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.7 t -133.66 178.89 6.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 73.6 m -114.8 134.73 54.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.812 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -70.42 176.57 3.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.839 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -108.75 -8.57 15.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.0 mtm180 -112.53 -27.35 8.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 45.5 p -126.26 -13.89 6.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.142 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 54.43 13.92 4.38 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.488 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.0 mmtp -75.57 152.86 85.47 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.568 0.699 . . . . 0.0 110.915 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.415 ' O ' ' CD2' ' A' ' 42' ' ' LEU . 53.7 Cg_endo -69.71 95.46 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.726 2.284 . . . . 0.0 112.326 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 10.2 pt -107.8 163.28 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.137 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.416 ' HB1' ' CD2' ' A' ' 64' ' ' PHE . . . -93.89 143.29 26.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.2 m -142.23 166.84 15.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.081 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? 43.73 51.24 6.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.464 ' CD1' ' HB3' ' A' ' 64' ' ' PHE . 0.2 OUTLIER -64.73 153.07 40.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.922 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.417 ' CG1' ' O ' ' A' ' 80' ' ' LEU . 33.7 m -157.97 125.51 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.172 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 10.7 tttp -64.45 123.2 18.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.9 mt -62.6 -52.78 55.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.091 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 14.7 t -112.25 131.95 55.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.862 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 169.5 74.18 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.449 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 133.79 26.28 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.646 2.231 . . . . 0.0 112.317 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 58.8 p -102.9 137.01 41.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 89' ' ' GLY . 80.3 p -84.24 99.03 10.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.862 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 88' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.473 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.2 t -87.45 108.47 19.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.877 0.37 . . . . 0.0 110.893 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.0 m -158.13 166.23 32.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.863 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.35 -148.32 8.49 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.513 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -159.84 109.82 1.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.876 0.369 . . . . 0.0 110.834 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.7 m -51.1 141.21 14.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.882 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.24 51.26 4.75 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.448 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -58.87 -114.12 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.472 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.516 ' HA ' ' C ' ' A' ' 10' ' ' PRO . 31.8 p90 -105.95 153.74 39.93 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.692 0.758 . . . . 0.0 110.915 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 9' ' ' TYR . 53.7 Cg_endo -69.78 147.12 84.03 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.674 -1.802 . . . . 0.0 112.34 -0.045 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -106.31 106.37 16.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 118.51 173.79 15.99 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.473 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.0 m -86.1 -55.56 3.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.84 0.352 . . . . 0.0 111.144 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 27.4 t -76.44 125.7 29.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -132.55 157.81 43.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.073 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -108.94 173.06 6.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.137 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.471 ' CD1' ' O ' ' A' ' 17' ' ' LEU . 0.8 OUTLIER -173.1 110.6 0.2 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.875 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.46 ' N ' HD22 ' A' ' 17' ' ' LEU . 23.7 mmm-85 -69.46 122.32 18.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.404 ' CD ' ' CD1' ' A' ' 17' ' ' LEU . 11.6 mm-40 -98.37 153.94 18.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.2 p -122.75 140.74 52.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.145 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -149.62 -132.12 2.02 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.482 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.41 ' O ' ' N ' ' A' ' 34' ' ' GLN . 2.7 p -154.31 141.0 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.865 0.364 . . . . 0.0 111.1 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.6 mm -70.62 93.53 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.168 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -67.45 -43.6 80.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.487 ' HD3' ' N ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -140.41 154.79 46.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.909 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.487 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 3.5 tp -146.63 138.15 24.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.944 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.8 mp -132.92 -177.56 4.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 46.2 m -76.44 -28.64 56.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.158 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.1 m -90.42 -42.54 10.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.845 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -162.74 -175.55 4.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.875 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.572 ' O ' ' CD1' ' A' ' 44' ' ' PHE . . . -149.45 162.87 29.15 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.505 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -105.91 159.99 15.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.837 0.351 . . . . 0.0 110.888 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.56 HD13 ' CD1' ' A' ' 44' ' ' PHE . 25.0 mt -139.18 113.42 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.153 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.41 ' N ' ' O ' ' A' ' 22' ' ' VAL . 2.7 tp60 -79.47 99.94 7.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.461 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 29.0 m -46.7 136.06 8.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.5 m -98.67 6.0 47.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -115.27 -38.05 3.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.461 ' HG2' ' CB ' ' A' ' 35' ' ' CYS . 12.4 ptm180 -105.35 -12.15 16.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 62.72 44.49 6.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -126.26 140.89 52.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.092 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 23.6 mtm180 -81.44 102.72 10.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.494 ' CD2' ' O ' ' A' ' 75' ' ' PRO . 9.5 mt -86.28 170.6 11.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.928 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.5 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -127.45 106.39 9.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.572 ' CD1' ' O ' ' A' ' 31' ' ' GLY . 2.4 p90 -101.57 140.78 35.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -93.8 138.57 31.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.2 t -51.42 -17.62 0.82 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.874 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.2 t -78.17 -32.54 50.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 51.9 mm-40 -62.92 -50.07 72.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -50.6 130.06 23.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.938 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -78.52 -42.12 30.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.28 -151.86 1.4 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.463 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.432 ' O ' ' C ' ' A' ' 53' ' ' LEU . 12.1 t-20 -112.91 113.78 26.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.862 0.363 . . . . 0.0 110.88 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 52' ' ' ASN . 1.3 mm? -35.06 -35.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.883 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.429 ' N ' ' O ' ' A' ' 52' ' ' ASN . 30.0 mm-40 -45.46 -49.83 13.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -68.87 -38.95 80.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.8 tp -66.26 150.54 48.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -154.63 174.08 15.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.928 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 42.6 t -83.65 105.95 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.109 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 123.16 19.04 2.99 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.487 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -120.9 132.3 54.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.781 0.324 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.04 140.13 57.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -150.06 151.91 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.102 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -107.97 136.51 47.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.479 ' HB3' ' CD1' ' A' ' 80' ' ' LEU . 21.6 p90 -148.37 176.77 10.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -124.17 123.44 40.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 87.6 t -73.33 117.79 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.8 m -127.53 170.22 12.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -103.14 128.69 50.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -65.32 173.47 2.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.871 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -109.99 1.22 18.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 42.9 mmm-85 -120.16 -47.45 2.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 67.3 p -105.1 -14.5 15.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.187 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 60.69 17.39 49.16 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.45 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 45.3 mmtt -85.05 152.53 58.92 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.606 0.717 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.494 ' O ' ' CD2' ' A' ' 42' ' ' LEU . 53.8 Cg_endo -69.72 97.48 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.714 2.276 . . . . 0.0 112.319 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 8.8 pt -105.71 166.53 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.183 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -94.78 145.06 25.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.158 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.1 m -144.64 162.96 13.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 35.5 mmtt 44.5 51.38 7.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.912 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.479 ' CD1' ' HB3' ' A' ' 64' ' ' PHE . 0.2 OUTLIER -64.57 151.3 44.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.975 179.899 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.405 ' CG1' ' O ' ' A' ' 80' ' ' LEU . 5.5 m -160.99 117.79 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.14 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 17.4 tttm -56.2 128.65 36.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.7 mt -64.06 -62.14 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.3 t -57.28 171.44 0.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.809 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 147.88 70.89 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.481 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 105.61 1.52 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.654 2.236 . . . . 0.0 112.377 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 78.3 p -84.39 170.24 13.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.877 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 89' ' ' GLY . 7.0 t -111.71 161.91 15.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.833 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 88' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.516 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 t -98.15 148.31 23.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.854 0.359 . . . . 0.0 110.871 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.3 p -100.0 118.4 36.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.865 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.93 114.42 5.0 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.442 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -83.26 41.49 0.77 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.881 0.372 . . . . 0.0 110.833 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.9 m -135.27 169.15 17.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.4 156.63 18.54 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.489 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 166.21 133.07 1.46 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.511 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.503 ' HA ' ' C ' ' A' ' 10' ' ' PRO . 14.2 m-85 -147.35 159.71 41.23 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.673 0.749 . . . . 0.0 110.955 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 9' ' ' TYR . 54.5 Cg_endo -69.7 165.92 75.25 Favored 'Cis proline' 0 C--N 1.341 0.162 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.355 -0.148 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -41.61 138.9 1.26 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -154.01 135.04 4.58 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.458 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.6 p -61.59 136.25 57.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.801 0.334 . . . . 0.0 111.153 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.1 t -113.27 44.42 1.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.845 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -96.46 158.35 15.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.117 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -120.24 171.95 8.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.049 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.432 ' CD1' ' HG2' ' A' ' 19' ' ' GLU . 0.9 OUTLIER -75.48 118.11 17.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.2 mmm-85 -72.4 127.87 33.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.432 ' HG2' ' CD1' ' A' ' 17' ' ' LEU . 11.3 mt-10 -108.36 154.13 22.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.9 p -124.24 151.92 43.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -155.32 -125.98 0.97 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.41 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.2 p -158.75 133.44 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.817 0.341 . . . . 0.0 111.135 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.463 HD13 ' CG2' ' A' ' 62' ' ' VAL . 26.0 mm -64.39 91.63 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.115 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.3 tp10 -67.15 -38.58 85.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.46 ' HD3' ' N ' ' A' ' 26' ' ' LEU . 5.0 tmtm? -146.52 153.66 40.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.46 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 2.9 tt -147.99 136.94 21.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.467 HD11 ' N ' ' A' ' 27' ' ' LEU . 3.7 mp -128.98 -177.3 4.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 83.8 m -79.46 -19.3 50.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.176 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.7 t -102.72 -41.81 6.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -158.15 -175.55 5.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.966 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.533 ' HA3' ' CE1' ' A' ' 44' ' ' PHE . . . -154.21 167.23 32.31 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.426 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -113.25 156.41 23.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.805 0.336 . . . . 0.0 110.893 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.468 ' CD1' HD11 ' A' ' 80' ' ' LEU . 33.8 mt -136.63 116.18 16.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.137 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.471 ' NE2' ' HG3' ' A' ' 41' ' ' ARG . 3.9 tp60 -80.46 95.59 6.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.947 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.451 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 74.0 m -42.97 130.24 4.35 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.934 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.6 m -95.19 10.24 36.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -116.99 -36.05 3.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.451 ' HG2' ' CB ' ' A' ' 35' ' ' CYS . 14.2 ptm180 -110.99 -6.62 14.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 59.84 40.59 19.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.26 141.62 50.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.069 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.481 ' CZ ' ' HB2' ' A' ' 41' ' ' ARG . 14.0 mtm105 -82.99 101.91 11.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.484 ' CD2' ' O ' ' A' ' 75' ' ' PRO . 8.9 mt -85.21 171.17 12.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.483 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -127.96 108.08 10.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.903 179.92 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.533 ' CE1' ' HA3' ' A' ' 31' ' ' GLY . 2.5 p90 -103.6 140.92 36.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -96.49 141.81 29.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.4 p -50.99 -20.04 1.23 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.831 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.7 t -74.74 -34.51 62.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -61.92 -49.82 74.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -51.96 134.44 31.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -85.37 -38.07 19.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.852 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -74.68 -147.87 1.49 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.49 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 41.5 t-20 -113.97 118.63 34.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.88 0.372 . . . . 0.0 110.927 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -47.12 -36.61 8.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -47.88 -40.92 23.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.96 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -76.77 -35.7 57.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.1 tp -62.14 144.58 55.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.939 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.3 pttp -150.02 151.39 33.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 80.8 t -63.05 129.46 26.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.121 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.77 16.28 26.69 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.481 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -113.16 142.15 46.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.785 0.326 . . . . 0.0 110.868 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.77 135.76 43.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.463 ' CG2' HD13 ' A' ' 23' ' ' ILE . 1.6 m -146.72 164.92 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.172 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 66.1 tt0 -120.63 135.17 55.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.471 ' HB3' ' CD1' ' A' ' 80' ' ' LEU . 44.9 p90 -144.48 176.61 9.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.863 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -124.72 118.75 27.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 66.1 t -69.41 116.17 9.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.0 m -126.75 175.81 7.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.0 p -108.25 128.7 54.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.843 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -66.48 165.61 14.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.864 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -103.0 0.73 32.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -119.88 -38.25 2.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 22.2 p -115.93 -12.67 11.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.183 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 59.13 9.2 7.29 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.498 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.2 mmtt -76.37 152.61 83.77 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.582 0.706 . . . . 0.0 110.898 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.484 ' O ' ' CD2' ' A' ' 42' ' ' LEU . 53.9 Cg_endo -69.78 99.87 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.701 2.267 . . . . 0.0 112.35 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 10.7 pt -110.64 163.37 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.153 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -91.44 146.75 23.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 28.0 m -146.08 161.9 10.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.2 mmtt 45.44 51.76 9.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.491 ' O ' ' CG1' ' A' ' 81' ' ' VAL . 0.2 OUTLIER -64.38 156.16 30.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.88 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.491 ' CG1' ' O ' ' A' ' 80' ' ' LEU . 12.5 m -163.4 119.76 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.149 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 10.6 tttt -59.24 125.65 24.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.4 mt -61.74 -63.79 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.9 m -103.55 164.43 11.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 159.69 135.24 1.81 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.47 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 154.57 67.62 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.741 2.294 . . . . 0.0 112.358 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 51.3 p -134.36 40.86 2.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.839 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 27.3 p -130.62 165.27 23.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.832 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.488 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.2 p -83.33 139.99 32.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.902 0.382 . . . . 0.0 110.85 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 4' ' ' GLY . 77.3 p -133.39 115.07 14.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 3' ' ' SER . . . -37.87 -90.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.46 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.1 p -169.82 125.9 0.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.911 0.386 . . . . 0.0 110.837 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.4 t -131.98 95.77 3.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.86 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.77 -154.13 49.63 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.513 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.547 ' O ' ' CD2' ' A' ' 9' ' ' TYR . . . 142.22 120.54 1.59 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.475 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.547 ' CD2' ' O ' ' A' ' 8' ' ' GLY . 33.1 m-85 -170.05 149.17 3.27 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.626 0.727 . . . . 0.0 110.938 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 9' ' ' TYR . 53.1 Cg_endo -69.78 147.33 84.48 Favored 'Cis proline' 0 C--N 1.341 0.141 0 C-N-CA 122.746 -1.773 . . . . 0.0 112.289 0.027 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 63.9 t-20 -94.54 117.19 29.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 123.99 107.16 1.76 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.486 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 69.1 p -141.58 142.32 33.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.763 0.316 . . . . 0.0 111.155 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.8 t -144.13 158.0 43.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.834 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -126.95 162.66 25.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.117 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.98 124.22 29.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.071 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.527 ' CD1' ' CD ' ' A' ' 19' ' ' GLU . 1.3 tm? -102.09 104.43 15.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.408 ' NH2' HG22 ' A' ' 81' ' ' VAL . 30.1 mmm-85 -72.39 127.39 32.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.527 ' CD ' ' CD1' ' A' ' 17' ' ' LEU . 8.1 mm-40 -104.33 154.18 20.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.931 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.5 p -120.27 145.52 46.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -152.3 -137.66 2.61 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.469 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.5 p -150.52 141.0 16.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.803 0.335 . . . . 0.0 111.093 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.476 HD13 ' CG2' ' A' ' 62' ' ' VAL . 10.9 mm -71.39 95.01 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.097 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -70.45 -46.94 62.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.844 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.489 ' HD3' ' N ' ' A' ' 26' ' ' LEU . 7.2 tmtm? -138.38 154.15 48.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.489 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 3.3 tp -146.88 138.27 24.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.925 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 mp -131.43 -174.87 3.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.3 m -78.91 -28.41 43.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.2 m -92.14 -40.23 11.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -164.21 -175.14 3.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.902 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.531 ' O ' ' CD1' ' A' ' 44' ' ' PHE . . . -151.4 165.32 30.41 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.49 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -108.16 156.91 18.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.863 0.363 . . . . 0.0 110.854 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.413 ' CD1' HD12 ' A' ' 80' ' ' LEU . 37.7 mt -134.89 114.62 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.414 ' NE2' ' HG3' ' A' ' 41' ' ' ARG . 2.4 tp60 -80.39 93.37 5.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.472 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 68.0 m -43.74 142.1 1.36 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 45.2 m -100.27 -0.54 38.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -108.21 -42.79 4.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.827 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.505 ' O ' ' CG ' ' A' ' 39' ' ' GLN . 9.9 ptm180 -101.75 -0.28 34.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.505 ' CG ' ' O ' ' A' ' 38' ' ' ARG . 11.1 pt20 47.88 43.11 17.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.439 ' CB ' ' NE ' ' A' ' 38' ' ' ARG . . . -123.39 140.51 52.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.414 ' HG3' ' NE2' ' A' ' 34' ' ' GLN . 27.2 mtp180 -79.27 99.81 7.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.401 HD13 ' CE2' ' A' ' 64' ' ' PHE . 8.7 mt -83.09 169.71 15.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.489 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -127.56 108.74 11.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.531 ' CD1' ' O ' ' A' ' 31' ' ' GLY . 2.2 p90 -104.26 140.96 37.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -93.81 139.99 30.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.4 p -52.26 -16.29 0.8 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.845 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.9 t -80.19 -31.29 38.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.817 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 57.1 mm-40 -62.31 -50.29 72.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.928 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -51.6 127.0 19.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -78.5 -34.11 47.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.915 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -76.55 -140.4 1.06 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.527 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' ' 53' ' ' LEU . 1.5 t30 -123.5 111.49 16.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.847 0.356 . . . . 0.0 110.877 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 52' ' ' ASN . 3.8 mm? -34.03 -46.24 0.23 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 52.5 mm-40 -42.05 -49.3 4.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -63.93 -35.07 79.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.839 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.462 HD11 ' CG1' ' A' ' 62' ' ' VAL . 10.4 tp -71.81 159.7 33.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.965 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.7 pttm -159.16 164.26 35.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 38.4 t -75.2 127.69 36.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.201 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.3 20.18 16.42 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.51 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -118.8 151.95 37.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.833 0.349 . . . . 0.0 110.858 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.04 142.87 34.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.476 ' CG2' HD13 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -155.17 142.48 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.138 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -99.04 128.94 45.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.481 ' HB3' ' CD1' ' A' ' 80' ' ' LEU . 14.9 p90 -138.55 176.76 8.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -123.47 118.75 28.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 64.8 t -71.21 122.43 23.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.9 t -131.67 172.69 11.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 72.4 m -105.59 130.96 53.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -67.06 165.56 15.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -104.91 1.36 28.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.1 mmp_? -117.49 -41.54 2.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 63.2 p -115.22 -12.72 11.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.164 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 61.34 15.28 44.72 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.461 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.9 mmtt -81.11 152.92 71.78 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.617 0.723 . . . . 0.0 110.872 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 103.01 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.676 2.251 . . . . 0.0 112.375 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 10.6 pt -115.67 159.37 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.12 145.1 25.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 28.1 m -144.87 161.49 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.124 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? 47.77 49.92 16.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.481 ' CD1' ' HB3' ' A' ' 64' ' ' PHE . 0.2 OUTLIER -62.65 155.13 27.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.408 HG22 ' NH2' ' A' ' 18' ' ' ARG . 0.7 OUTLIER -161.47 128.55 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.098 179.882 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.9 tttt -66.68 129.64 40.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.877 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.6 mt -68.24 -59.77 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.16 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.6 t -101.0 136.34 41.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.811 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -165.04 112.49 0.51 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.48 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 159.95 51.46 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.665 2.243 . . . . 0.0 112.301 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 65.4 p -126.48 175.25 8.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.1 t -143.0 116.7 9.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.845 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.453 -179.993 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.0 m -93.5 136.44 33.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.892 0.377 . . . . 0.0 110.873 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.1 m -138.7 115.99 11.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.837 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.1 42.65 1.84 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.466 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.4 t -107.91 90.81 3.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.872 0.368 . . . . 0.0 110.894 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 100.0 p -123.67 115.58 21.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.88 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.7 -96.1 0.19 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.525 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 111.85 128.98 5.26 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.493 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.53 ' HA ' ' C ' ' A' ' 10' ' ' PRO . 4.0 p90 -62.5 151.33 83.5 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.66 0.743 . . . . 0.0 110.911 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 9' ' ' TYR . 53.8 Cg_endo -69.77 143.64 74.42 Favored 'Cis proline' 0 C--N 1.342 0.186 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.341 -0.048 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 -59.59 142.76 52.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.956 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 13' ' ' THR . . . 131.7 -81.24 0.33 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.48 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 12' ' ' GLY . 19.6 m -35.44 139.81 0.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.806 0.336 . . . . 0.0 111.154 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 27.7 p -111.3 -177.73 3.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.848 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -44.54 167.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.074 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.56 160.66 31.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.101 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.455 HD22 ' N ' ' A' ' 18' ' ' ARG . 1.2 tm? -115.6 127.4 55.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.455 ' N ' HD22 ' A' ' 17' ' ' LEU . 11.9 mmm180 -86.93 131.92 33.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.412 ' OE1' ' CD1' ' A' ' 17' ' ' LEU . 5.4 mm-40 -111.17 154.22 24.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 24.8 p -124.6 144.61 50.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -148.75 -138.5 3.0 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.514 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.406 ' O ' ' CG1' ' A' ' 22' ' ' VAL . 6.1 p -152.23 124.88 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.76 0.314 . . . . 0.0 111.113 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 16.6 mm -56.12 92.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -69.41 -39.93 77.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.08 154.7 44.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.7 tp -146.1 136.87 24.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.0 mp -127.87 -175.87 3.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.921 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 88.8 m -82.56 -12.92 57.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.4 t -109.44 -37.86 5.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.828 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -161.34 -179.49 7.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.58 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -147.41 158.78 27.83 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.539 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -105.03 146.83 28.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.82 0.343 . . . . 0.0 110.864 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.555 HD12 ' CD2' ' A' ' 44' ' ' PHE . 22.8 mt -126.17 111.82 27.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.415 ' NE2' ' HG3' ' A' ' 41' ' ' ARG . 5.3 tp60 -78.94 101.52 7.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.7 m -48.97 137.51 12.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -103.31 6.16 37.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 -179.706 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -116.79 -42.03 3.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.848 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.476 ' HB2' ' CZ ' ' A' ' 38' ' ' ARG . 0.4 OUTLIER -99.91 -13.53 19.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 -179.912 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 63.92 46.98 3.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -131.66 133.84 45.33 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.415 ' HG3' ' NE2' ' A' ' 34' ' ' GLN . 15.5 mtt180 -74.39 104.87 5.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.6 mt -87.44 166.0 15.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.548 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -124.43 107.28 10.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.58 ' CD2' ' O ' ' A' ' 31' ' ' GLY . 2.0 p90 -103.5 141.55 35.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -95.76 142.36 28.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 62.8 m -54.03 -14.87 1.17 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 45.1 t -81.48 -31.07 33.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.801 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 48.6 mm-40 -63.74 -49.63 72.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -52.0 129.92 28.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -81.28 -40.98 22.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.29 -141.71 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.439 ' O ' ' C ' ' A' ' 53' ' ' LEU . 1.8 p-10 -122.07 109.68 14.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.35 . . . . 0.0 110.905 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 52' ' ' ASN . 2.7 mm? -34.38 -42.94 0.15 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -42.91 -49.92 5.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -66.63 -36.88 83.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.464 HD13 ' CG1' ' A' ' 62' ' ' VAL . 10.2 tp -68.58 144.04 54.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.414 ' HD2' ' CG ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -144.02 169.34 18.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.836 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 78.2 t -80.61 115.73 23.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.099 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 115.28 15.91 7.45 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.502 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.414 ' CG ' ' HD2' ' A' ' 57' ' ' LYS . 29.6 m-20 -116.73 145.19 43.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.787 0.327 . . . . 0.0 110.881 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.69 141.28 48.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.464 ' CG1' HD13 ' A' ' 56' ' ' LEU . 0.8 OUTLIER -151.96 146.39 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.129 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -102.75 136.17 43.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.476 ' HB3' ' CD1' ' A' ' 80' ' ' LEU . 4.7 p90 -146.08 176.72 9.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -121.62 115.28 22.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.856 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 48.6 t -69.74 120.57 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.133 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.5 t -128.6 178.62 6.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.852 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -109.97 126.38 53.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -60.35 163.5 5.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.829 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -99.4 0.69 43.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 20.0 mmt-85 -116.37 -58.18 2.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 34.4 p -99.18 -8.82 24.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 58.97 15.83 29.96 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -78.49 152.32 78.24 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.54 0.686 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 102.25 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.671 2.247 . . . . 0.0 112.337 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 8.1 pt -113.4 161.58 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -91.24 143.36 26.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.6 m -143.7 163.12 15.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.119 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 39.0 mmtt 45.64 49.1 11.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.476 ' CD1' ' HB3' ' A' ' 64' ' ' PHE . 0.2 OUTLIER -62.79 151.72 37.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.2 p -159.75 123.94 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.073 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.4 tttt -59.9 129.36 41.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.7 mt -66.34 -62.8 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.111 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.2 t -92.38 118.38 30.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 151.95 92.87 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.458 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 147.63 63.44 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.659 2.239 . . . . 0.0 112.361 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 25.0 t -99.79 96.61 7.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.834 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.3 t -58.92 87.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.831 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.537 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m 47.88 29.02 1.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.912 0.387 . . . . 0.0 110.853 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.0 m -81.98 -48.38 11.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.16 147.83 5.82 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.481 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.8 p -131.37 89.37 2.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.895 0.379 . . . . 0.0 110.873 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.9 t -130.82 131.1 44.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.36 171.37 37.35 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.515 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -115.71 124.6 6.34 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.501 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.511 ' HA ' ' C ' ' A' ' 10' ' ' PRO . 35.2 m-85 -132.7 154.04 81.32 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.638 0.732 . . . . 0.0 110.933 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.511 ' C ' ' HA ' ' A' ' 9' ' ' TYR . 54.0 Cg_endo -69.77 -176.34 12.48 Favored 'Cis proline' 0 C--N 1.341 0.167 0 C-N-CA 122.643 -1.815 . . . . 0.0 112.37 -0.055 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -132.43 128.56 37.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 161.14 -118.39 0.82 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.518 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 49.2 p -92.42 100.17 12.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.795 0.331 . . . . 0.0 111.122 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 77.9 p -128.19 100.48 5.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -166.33 140.89 4.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.129 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -140.58 126.51 19.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.138 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.435 ' CD1' ' O ' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -110.7 103.24 11.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.0 mmm-85 -70.31 129.96 40.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -105.55 154.9 19.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 18.3 p -125.33 147.84 48.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.121 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -153.93 -135.5 2.12 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.497 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.6 p -151.41 131.81 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.801 0.334 . . . . 0.0 111.124 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.465 ' CG2' ' HA ' ' A' ' 58' ' ' VAL . 5.9 mm -61.2 94.32 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -68.69 -40.7 79.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.464 ' HD3' ' N ' ' A' ' 26' ' ' LEU . 1.8 tmtt? -147.58 153.44 39.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.464 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 3.3 tp -143.19 138.15 29.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.405 ' HG ' ' NZ ' ' A' ' 25' ' ' LYS . 4.3 mp -130.14 -175.79 3.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 48.8 m -79.0 -25.3 43.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -94.65 -41.96 9.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -161.6 -175.27 4.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.602 ' O ' ' CD1' ' A' ' 44' ' ' PHE . . . -149.06 159.65 28.12 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -105.81 148.64 27.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.798 0.332 . . . . 0.0 110.889 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.555 HD13 ' CD1' ' A' ' 44' ' ' PHE . 33.1 mt -128.87 115.43 36.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.134 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.464 ' NE2' ' HG3' ' A' ' 41' ' ' ARG . 8.1 tp60 -80.21 101.49 8.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.468 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 76.3 m -51.18 127.14 18.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.73 9.11 38.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -115.58 -42.49 3.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.468 ' HG2' ' CB ' ' A' ' 35' ' ' CYS . 14.7 ptm180 -102.96 -6.7 22.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 60.01 34.45 21.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -119.43 132.2 55.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.08 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.464 ' HG3' ' NE2' ' A' ' 34' ' ' GLN . 23.4 mtm180 -74.35 111.26 9.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.458 HD11 ' CE1' ' A' ' 64' ' ' PHE . 8.2 mt -94.59 166.25 12.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.548 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -124.1 108.3 12.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.602 ' CD1' ' O ' ' A' ' 31' ' ' GLY . 2.2 p90 -103.29 141.6 35.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -94.81 140.13 30.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.1 t -52.04 -17.57 1.09 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.7 m -79.8 -29.66 40.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 62.7 mm-40 -65.34 -43.77 89.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -54.28 132.15 43.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.958 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 36.1 m-20 -80.86 -38.15 28.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -77.89 -144.98 2.35 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.485 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.426 ' O ' ' C ' ' A' ' 53' ' ' LEU . 11.5 t-20 -117.73 112.67 20.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 110.873 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' A' ' 52' ' ' ASN . 1.3 mm? -35.17 -40.42 0.13 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.916 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -43.3 -49.43 6.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.925 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -67.28 -36.57 81.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.3 tp -64.91 154.98 35.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.945 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.2 pttt -159.32 160.29 34.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.465 ' HA ' ' CG2' ' A' ' 23' ' ' ILE . 87.4 t -73.43 123.73 29.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.116 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 105.77 21.05 8.89 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.518 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -123.95 143.01 50.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.833 0.349 . . . . 0.0 110.867 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -69.54 142.72 53.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.866 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -154.17 142.31 13.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.11 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -98.63 131.28 44.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.475 ' HB3' ' CD1' ' A' ' 80' ' ' LEU . 33.9 p90 -142.91 176.7 8.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -121.23 124.86 45.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 80.7 t -79.77 114.85 21.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.139 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.3 t -124.1 172.2 9.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.9 p -102.91 123.55 46.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.86 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -58.07 171.66 0.51 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -110.92 0.39 17.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 19.0 mtt-85 -116.87 -34.64 4.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 18.2 p -123.97 -7.44 7.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.132 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 58.48 13.88 18.46 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.465 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.3 mmtp -79.39 152.23 75.71 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.605 0.717 . . . . 0.0 110.858 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.422 ' O ' ' CD2' ' A' ' 42' ' ' LEU . 53.4 Cg_endo -69.77 102.96 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.66 2.24 . . . . 0.0 112.332 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 8.9 pt -112.64 158.78 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -88.69 143.31 27.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.075 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.7 m -144.17 162.22 15.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.142 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.0 mttt 46.61 49.88 13.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.475 ' CD1' ' HB3' ' A' ' 64' ' ' PHE . 0.2 OUTLIER -62.88 158.23 19.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.972 179.84 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.2 p -165.4 131.53 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.167 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 21.4 tttt -67.46 126.61 29.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.1 mt -66.02 -58.22 7.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.105 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 89.1 p -82.8 129.65 35.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -148.13 83.25 0.18 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.496 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 102.05 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.659 2.239 . . . . 0.0 112.349 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 22.3 t -71.51 145.97 48.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.4 t -119.01 -43.13 2.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.5 -179.972 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.6 m -69.78 89.2 0.56 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.869 0.366 . . . . 0.0 110.869 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 m 60.32 38.34 19.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.27 120.26 2.55 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.484 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 t -108.15 92.36 4.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.871 0.367 . . . . 0.0 110.829 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.1 m -104.34 161.26 14.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.84 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.46 101.76 0.62 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.438 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 150.59 48.53 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.429 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.526 ' HA ' ' C ' ' A' ' 10' ' ' PRO . 23.5 p90 -123.47 153.14 65.74 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.702 0.763 . . . . 0.0 110.894 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 9' ' ' TYR . 54.0 Cg_endo -69.7 135.4 33.53 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.358 -0.118 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -47.04 132.97 11.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -163.89 58.77 0.27 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.458 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 63.8 p 42.54 43.98 3.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.837 0.351 . . . . 0.0 111.166 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 77.4 p -89.63 41.96 1.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.61 161.1 14.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.098 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.12 125.88 28.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.512 ' CD1' ' CD ' ' A' ' 19' ' ' GLU . 1.1 tm? -122.0 99.97 6.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.7 mmm-85 -65.28 119.42 10.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.848 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.512 ' CD ' ' CD1' ' A' ' 17' ' ' LEU . 7.6 mm-40 -96.68 154.11 17.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.438 ' CG2' ' HG3' ' A' ' 63' ' ' GLU . 31.0 p -127.75 139.71 52.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -151.38 -124.91 1.17 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.509 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.6 p -157.11 151.72 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.805 0.336 . . . . 0.0 111.099 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.471 ' CG2' ' HA ' ' A' ' 58' ' ' VAL . 15.4 mm -78.86 90.9 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -65.17 -46.62 80.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.487 ' HD3' ' N ' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -139.2 153.22 47.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.932 179.898 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.487 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 2.7 tp -146.28 139.47 25.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.943 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.1 mp -131.59 -175.54 3.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.946 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 43.7 m -80.34 -19.25 46.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.132 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.5 m -102.14 -38.71 7.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -165.48 -176.52 4.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -150.93 167.11 30.52 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.449 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -113.61 142.14 46.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.815 0.34 . . . . 0.0 110.882 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.574 HG23 ' CE1' ' A' ' 64' ' ' PHE . 22.3 mt -119.54 119.01 59.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -78.36 107.51 11.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.461 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 64.9 m -65.6 110.29 2.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.7 m -80.51 8.88 6.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -109.99 -40.7 4.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.461 ' HG2' ' CB ' ' A' ' 35' ' ' CYS . 11.6 ptm180 -105.05 -6.52 19.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 62.61 39.71 11.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -132.82 139.48 47.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.096 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.497 ' O ' ' CG ' ' A' ' 41' ' ' ARG . 9.3 ptt85 -83.02 112.69 20.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.5 mt -90.77 169.99 10.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.563 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -124.1 105.16 9.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 179.917 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.506 ' CD2' HD12 ' A' ' 33' ' ' ILE . 1.9 p90 -101.23 139.84 36.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.9 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -92.45 140.83 29.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 31.2 m -54.29 -14.87 1.3 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.8 p -81.32 -31.39 33.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.9 mm-40 -63.18 -52.01 64.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -51.69 126.32 17.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.959 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 19.3 p-10 -78.95 -41.04 30.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.5 -143.69 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.428 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' ' 53' ' ' LEU . 51.8 t-20 -123.65 112.62 17.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.939 0.399 . . . . 0.0 110.845 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 52' ' ' ASN . 4.0 mm? -34.56 -43.96 0.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.918 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -43.67 -49.07 7.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -66.25 -36.8 83.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.5 tp -68.74 149.04 49.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.963 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.412 ' HE3' ' CG ' ' A' ' 60' ' ' ASP . 7.3 pttp -155.24 163.73 39.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.471 ' HA ' ' CG2' ' A' ' 23' ' ' ILE . 41.6 t -74.94 109.86 8.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.164 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 119.96 17.35 4.61 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.458 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.412 ' CG ' ' HE3' ' A' ' 57' ' ' LYS . 33.4 m-20 -119.39 139.77 51.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.802 0.334 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -68.13 138.39 55.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.7 m -151.21 141.84 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.161 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.438 ' HG3' ' CG2' ' A' ' 20' ' ' THR . 12.0 tt0 -99.8 139.12 35.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.574 ' CE1' HG23 ' A' ' 33' ' ' ILE . 16.8 p90 -147.13 176.73 9.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -122.81 127.56 49.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 85.4 t -79.74 119.87 29.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.099 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.3 t -125.06 179.21 5.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 26.1 p -118.36 106.66 12.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.827 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -48.54 170.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.873 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.578 ' HE ' ' N ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -110.9 -13.96 14.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 -179.904 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.0 mmt85 -97.93 -41.16 8.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 43.6 p -112.85 -16.88 12.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 61.78 17.55 54.65 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.506 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 51.1 mmtt -88.84 151.76 47.85 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.538 0.685 . . . . 0.0 110.899 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 102.84 1.08 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.655 2.237 . . . . 0.0 112.348 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.0 pt -115.88 166.03 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -89.62 152.25 21.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.102 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 17.2 m -150.98 158.0 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.106 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 32.3 mtmt 48.43 50.22 17.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.476 ' CD1' ' HB3' ' A' ' 64' ' ' PHE . 0.2 OUTLIER -63.04 151.06 40.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.927 179.917 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.5 m -155.25 129.21 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.124 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 19.9 tttt -66.43 119.23 11.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.7 mt -57.18 -61.68 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.135 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.0 m -92.32 94.82 9.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 150.24 81.85 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.549 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 117.14 4.91 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.676 2.251 . . . . 0.0 112.353 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.6 t -66.71 137.35 56.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.813 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 60.7 p -132.05 144.14 50.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.865 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.51 -179.961 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.2 t -163.07 129.56 3.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 0.0 110.838 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.4 p -44.37 109.05 0.13 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.872 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.91 62.01 0.33 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.48 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -71.04 82.16 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.867 0.365 . . . . 0.0 110.83 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.8 t -114.5 -39.32 3.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.841 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.83 -111.23 3.98 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.471 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -177.28 53.04 0.1 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.519 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.538 ' HA ' ' C ' ' A' ' 10' ' ' PRO . 51.0 m-85 -151.55 151.48 28.83 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.685 0.755 . . . . 0.0 110.93 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 9' ' ' TYR . 53.9 Cg_endo -69.76 136.98 41.46 Favored 'Cis proline' 0 C--N 1.342 0.206 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.369 -0.092 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.47 ' OD1' ' CD2' ' A' ' 9' ' ' TYR . 13.1 m-20 -34.45 131.36 0.33 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -80.89 -138.45 2.23 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.534 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.8 t -158.36 113.52 2.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.84 0.352 . . . . 0.0 111.126 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 51.1 m -103.82 98.31 8.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.45 -8.93 59.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.141 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -111.63 123.11 49.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.436 ' CD1' ' CD ' ' A' ' 19' ' ' GLU . 1.4 tm? -134.99 110.44 9.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 37.1 mmm-85 -72.79 123.45 23.37 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.436 ' CD ' ' CD1' ' A' ' 17' ' ' LEU . 7.5 mm-40 -104.43 153.79 20.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.9 p -121.82 147.98 45.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.194 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -155.55 -136.79 2.25 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.0 p -149.97 131.75 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.781 0.324 . . . . 0.0 111.092 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.46 ' CG2' ' HA ' ' A' ' 58' ' ' VAL . 20.2 mm -62.69 95.06 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.169 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -69.27 -44.42 71.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.475 ' HD3' ' N ' ' A' ' 26' ' ' LEU . 7.4 tmtm? -137.45 154.65 49.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.475 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 3.7 tp -147.89 138.29 22.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.7 mp -132.56 -174.81 3.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.9 m -81.09 -22.62 39.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.7 m -97.53 -40.95 8.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.868 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -162.78 178.57 8.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.586 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -145.02 162.4 28.12 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.489 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -108.83 153.05 24.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.77 0.319 . . . . 0.0 110.909 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.546 HD11 ' CD2' ' A' ' 44' ' ' PHE . 21.5 mt -131.15 114.71 27.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.099 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 35' ' ' CYS . 3.8 tp60 -78.33 89.06 4.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.407 ' C ' ' O ' ' A' ' 34' ' ' GLN . 64.8 m -37.82 132.64 0.91 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.8 m -98.82 3.1 47.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -108.54 -41.18 4.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.455 ' NE ' ' HB1' ' A' ' 40' ' ' ALA . 14.3 ptm180 -103.18 -11.98 17.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 63.95 50.53 2.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.455 ' HB1' ' NE ' ' A' ' 38' ' ' ARG . . . -134.14 145.39 49.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.106 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 35.2 mtm180 -82.86 100.55 10.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.488 HD13 ' CE2' ' A' ' 64' ' ' PHE . 8.3 mt -84.73 164.94 18.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.556 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -123.26 105.1 9.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.876 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.586 ' CD2' ' O ' ' A' ' 31' ' ' GLY . 2.3 p90 -101.25 139.14 37.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -91.95 138.9 31.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.4 p -52.91 -15.97 0.91 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.1 m -80.69 -30.79 36.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 71.3 mm-40 -63.58 -45.66 89.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.429 ' CE2' ' N ' ' A' ' 52' ' ' ASN . 16.7 t80 -56.82 128.95 39.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -80.15 -36.98 34.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.86 -139.31 0.25 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.444 ' O ' ' C ' ' A' ' 53' ' ' LEU . 64.0 t30 -127.9 109.83 11.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.872 0.368 . . . . 0.0 110.895 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 52' ' ' ASN . 3.8 mm? -34.1 -40.14 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 10.2 mp0 -42.41 -50.62 5.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -66.93 -36.88 83.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.452 HD12 ' CG1' ' A' ' 62' ' ' VAL . 11.7 tp -67.89 147.64 52.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.3 pttp -149.38 156.66 42.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.46 ' HA ' ' CG2' ' A' ' 23' ' ' ILE . 30.8 t -66.77 114.59 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 113.51 15.47 8.83 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.528 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -115.29 138.28 51.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.748 0.309 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -66.23 144.05 56.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.452 ' CG1' HD12 ' A' ' 56' ' ' LEU . 0.7 OUTLIER -157.07 142.29 8.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.113 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -96.76 133.93 40.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.488 ' CE2' HD13 ' A' ' 42' ' ' LEU . 23.6 p90 -143.92 176.65 9.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.864 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -123.03 125.63 45.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 75.0 t -79.16 121.0 31.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.091 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.2 t -130.5 165.97 21.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.831 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 64.4 p -105.31 109.17 21.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.826 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -48.1 175.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.563 ' HE ' ' N ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -114.5 -16.66 11.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.906 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 32.7 mmt180 -95.97 -41.44 8.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 44.2 p -110.69 -20.97 12.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.193 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 67.47 14.95 65.34 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.43 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.2 mmtt -88.12 152.54 50.68 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.592 0.71 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 105.35 1.47 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.651 2.234 . . . . 0.0 112.345 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.6 pt -118.19 159.02 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.116 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -87.15 149.89 24.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 23.6 m -148.25 160.54 6.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.137 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.5 mmpt? 47.54 49.44 16.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.48 ' CD1' ' HB3' ' A' ' 64' ' ' PHE . 0.2 OUTLIER -61.68 149.26 40.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.916 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 34.3 m -154.42 126.93 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.125 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 7.0 tttm -64.7 123.2 18.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.1 mt -63.97 -47.81 88.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.086 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 56.9 p -94.48 118.74 32.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -154.88 87.12 0.13 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.487 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 119.03 6.04 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.703 2.269 . . . . 0.0 112.337 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 89.4 p -95.58 -176.06 3.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.2 m -80.9 179.12 7.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 179.976 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.4 p -98.99 90.26 4.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.876 0.369 . . . . 0.0 110.855 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -43.94 -52.21 7.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.852 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.2 92.73 2.14 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.491 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.9 p -102.11 89.98 3.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.878 0.37 . . . . 0.0 110.873 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -116.43 154.29 30.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.13 56.63 1.57 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.479 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 166.49 -163.43 36.94 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.478 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.528 ' HA ' ' C ' ' A' ' 10' ' ' PRO . 1.8 p90 -60.88 154.17 60.59 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.723 0.773 . . . . 0.0 110.912 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 9' ' ' TYR . 53.8 Cg_endo -69.74 130.83 17.56 Favored 'Cis proline' 0 C--N 1.342 0.188 0 C-N-CA 122.742 -1.774 . . . . 0.0 112.326 -0.029 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.409 ' N ' ' HA ' ' A' ' 9' ' ' TYR . 20.9 t-20 -57.69 98.38 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 11' ' ' ASN . . . 60.16 142.16 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.508 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 14' ' ' SER . 24.7 m -95.1 116.98 29.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.763 0.316 . . . . 0.0 111.144 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 13' ' ' THR . 62.7 m -37.2 104.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -101.02 133.36 45.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.078 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.85 163.22 27.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.075 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.495 ' N ' ' CD1' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -149.58 161.45 42.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.967 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.416 ' N ' HD21 ' A' ' 17' ' ' LEU . 26.0 mmm-85 -77.62 120.8 23.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -102.16 154.05 19.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.0 p -117.59 141.47 48.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.164 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -149.85 -137.42 2.75 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.456 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.47 ' O ' ' N ' ' A' ' 34' ' ' GLN . 2.9 p -151.17 145.12 16.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.799 0.333 . . . . 0.0 111.11 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.468 ' CG2' ' HA ' ' A' ' 58' ' ' VAL . 12.9 mm -77.21 93.61 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.132 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -68.24 -40.51 81.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.473 ' HD3' ' N ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -143.39 155.19 44.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.473 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 4.0 tp -146.97 136.91 23.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.414 HD11 ' N ' ' A' ' 27' ' ' LEU . 4.8 mp -127.87 -174.54 3.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 51.3 m -81.09 -22.51 39.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.104 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.1 m -99.27 -40.27 8.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.848 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -160.08 -175.92 5.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.942 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.506 ' HA3' ' CE2' ' A' ' 44' ' ' PHE . . . -150.3 162.16 29.16 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.48 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -106.81 144.42 33.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.813 0.339 . . . . 0.0 110.92 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.565 HD12 ' CD2' ' A' ' 44' ' ' PHE . 34.4 mt -125.57 110.89 25.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.489 ' NE2' ' HG3' ' A' ' 41' ' ' ARG . 2.8 tp60 -78.5 95.83 5.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.472 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 14.3 m -46.91 138.15 6.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 37.8 m -98.53 -11.28 22.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -96.56 -43.8 7.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.472 ' HG2' ' CB ' ' A' ' 35' ' ' CYS . 16.8 ptp180 -98.59 -12.34 21.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.914 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 58.67 54.06 5.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -137.73 137.2 38.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.088 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.489 ' HG3' ' NE2' ' A' ' 34' ' ' GLN . 16.9 mtm105 -76.24 100.77 5.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.446 HD11 ' CE2' ' A' ' 64' ' ' PHE . 10.5 mt -86.76 164.85 16.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.486 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -121.26 107.99 13.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.565 ' CD2' HD12 ' A' ' 33' ' ' ILE . 1.8 p90 -104.0 141.48 36.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -95.23 141.7 28.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 77.3 m -51.54 -16.84 0.67 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.6 t -80.6 -30.58 36.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.4 mm-40 -62.0 -50.12 73.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -56.28 116.53 3.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 61.7 m-20 -81.55 2.48 28.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -102.19 -147.08 19.07 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.488 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -114.34 107.1 15.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.863 0.363 . . . . 0.0 110.894 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -39.19 -39.17 0.57 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -50.56 -47.25 57.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -68.81 -30.46 69.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.8 tp -71.85 156.25 39.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.2 ptpp? -163.29 170.31 17.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.95 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.468 ' HA ' ' CG2' ' A' ' 23' ' ' ILE . 97.1 t -82.59 117.77 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.161 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 111.88 19.84 7.11 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.499 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -123.15 128.48 50.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.812 0.339 . . . . 0.0 110.83 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -56.95 140.74 47.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.828 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.2 m -152.22 142.31 15.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.158 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -99.63 132.78 44.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.546 ' CE1' HG21 ' A' ' 33' ' ' ILE . 18.4 p90 -141.54 176.82 8.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -118.16 119.92 36.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 89.4 t -76.63 118.76 23.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.1 t -131.35 177.27 7.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.865 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.437 ' O ' ' NH2' ' A' ' 70' ' ' ARG . 34.0 p -116.2 121.84 43.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -55.46 178.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.7 ' HE ' ' N ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -104.35 -27.5 11.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.895 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 49.6 mtt-85 -88.76 -59.93 2.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 6.1 p -91.73 -19.27 22.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.185 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 61.85 12.07 33.63 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.498 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.5 mmtt -73.02 153.47 90.83 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.538 0.685 . . . . 0.0 110.889 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 100.27 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.609 2.206 . . . . 0.0 112.375 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 11.1 pt -113.53 162.89 11.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.096 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -95.12 152.66 18.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.081 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 35.3 m -149.72 163.45 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.116 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.6 mmpt? 45.4 48.6 10.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.48 ' CD1' ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -59.93 151.97 24.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.88 179.911 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.1 m -155.41 131.53 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.071 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 25.8 tttt -70.05 122.38 19.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.3 mt -60.18 -52.54 60.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.8 m -113.32 100.63 8.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 163.44 139.4 2.63 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.508 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 120.85 7.58 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.669 2.246 . . . . 0.0 112.375 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 38.5 m -98.62 112.61 24.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.864 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.7 t -116.23 100.5 7.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.839 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.475 179.977 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -86.59 82.98 7.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.872 0.368 . . . . 0.0 110.878 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.5 p -44.91 132.32 6.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.834 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.78 108.47 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.468 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.8 p -98.7 41.57 1.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.857 0.361 . . . . 0.0 110.866 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m -76.55 -45.68 29.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.35 -122.53 5.41 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.466 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 142.73 -159.4 27.29 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.495 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.522 ' HA ' ' C ' ' A' ' 10' ' ' PRO . 49.7 m-85 -149.0 155.8 40.43 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.647 0.737 . . . . 0.0 110.963 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 9' ' ' TYR . 53.3 Cg_endo -69.83 -32.49 3.91 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.341 0.021 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 20.9 m-20 55.22 42.58 30.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 168.79 125.14 0.77 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.47 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.1 m -70.87 135.09 47.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.781 0.324 . . . . 0.0 111.148 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 31.0 m -100.76 87.79 3.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.898 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -103.21 158.61 16.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.083 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.18 172.57 10.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.421 ' N ' ' CD1' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -141.0 166.78 23.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.906 -179.916 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 42.5 mmm-85 -85.21 124.5 31.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.482 ' OE2' ' CG2' ' A' ' 66' ' ' VAL . 8.8 mt-10 -99.02 154.17 18.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 35.0 p -123.36 139.83 53.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.152 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -148.85 -133.87 2.31 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.495 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 34' ' ' GLN . 6.7 p -152.36 141.53 14.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.775 0.321 . . . . 0.0 111.125 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.466 ' CG2' ' HA ' ' A' ' 58' ' ' VAL . 10.0 mm -73.55 93.3 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -67.02 -43.97 81.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.472 ' HE3' ' CD1' ' A' ' 27' ' ' LEU . 0.9 OUTLIER -141.26 157.41 45.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.467 ' N ' ' HD2' ' A' ' 25' ' ' LYS . 3.8 tp -146.81 138.04 24.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.472 ' CD1' ' HE3' ' A' ' 25' ' ' LYS . 4.5 mp -129.03 -175.69 3.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 45.7 m -81.75 -17.63 47.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.136 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 41.0 m -104.44 -40.67 5.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.837 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -157.53 -174.99 5.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.57 ' HA3' ' CE1' ' A' ' 44' ' ' PHE . . . -150.95 159.42 28.15 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.508 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -106.03 143.98 33.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.859 0.361 . . . . 0.0 110.848 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.544 HD11 ' CD1' ' A' ' 44' ' ' PHE . 33.2 mt -125.73 111.66 27.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.162 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 22' ' ' VAL . 4.8 tp60 -75.88 95.27 3.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.46 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 18.6 m -40.14 145.62 0.15 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.6 m -107.27 -0.82 22.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -110.75 -36.06 5.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.521 ' O ' ' CG ' ' A' ' 39' ' ' GLN . 14.2 ptm180 -108.83 0.63 20.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.521 ' CG ' ' O ' ' A' ' 38' ' ' ARG . 5.8 pt20 50.23 33.98 8.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.467 ' CB ' ' HG3' ' A' ' 38' ' ' ARG . . . -114.27 143.91 44.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.084 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.426 ' HG3' ' NE2' ' A' ' 34' ' ' GLN . 22.2 mtp180 -81.05 108.56 14.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.455 HD13 ' CE1' ' A' ' 64' ' ' PHE . 8.0 mt -91.19 165.61 13.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.623 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -124.34 108.43 12.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.57 ' CE1' ' HA3' ' A' ' 31' ' ' GLY . 2.4 p90 -105.53 141.13 37.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.868 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -95.32 139.65 31.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 67.6 m -51.09 -20.96 1.63 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.2 t -75.77 -30.85 59.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 68.3 mm-40 -62.78 -49.47 74.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -46.95 142.64 3.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.966 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.3 p-10 -88.74 -43.52 11.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -79.23 -155.19 9.06 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.518 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -100.55 122.57 43.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.896 0.379 . . . . 0.0 110.885 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.454 ' N ' HD21 ' A' ' 53' ' ' LEU . 3.1 mm? -43.96 -34.42 1.69 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -48.33 -45.48 35.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.947 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -68.7 -37.66 79.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.1 tp -69.68 150.48 46.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.9 ptpp? -152.39 172.92 15.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.466 ' HA ' ' CG2' ' A' ' 23' ' ' ILE . 74.3 t -84.21 125.81 40.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.096 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.0 22.58 10.6 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.495 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -123.53 145.72 48.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.793 0.33 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.46 142.02 51.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -154.2 144.61 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -100.66 134.5 43.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.489 ' CD1' ' HB2' ' A' ' 77' ' ' ALA . 29.0 p90 -144.92 176.73 9.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -119.65 117.88 29.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.482 ' CG2' ' OE2' ' A' ' 19' ' ' GLU . 94.7 t -71.46 119.1 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.3 t -132.09 179.11 6.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 18.5 m -114.29 127.87 56.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -62.33 170.09 2.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.444 ' N ' ' HD2' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -101.49 -12.52 18.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.831 -179.849 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 34.3 mmt180 -100.13 -60.68 1.48 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 25.9 p -94.31 -19.56 20.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.139 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 68.05 12.89 63.52 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.52 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.8 mmtt -75.78 153.53 85.13 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.582 0.706 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.417 ' O ' ' CD2' ' A' ' 42' ' ' LEU . 53.1 Cg_endo -69.83 98.19 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.667 2.245 . . . . 0.0 112.296 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 8.3 pt -109.52 164.96 5.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.101 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.489 ' HB2' ' CD1' ' A' ' 64' ' ' PHE . . . -96.27 147.38 23.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.9 m -143.39 168.07 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.9 mmpt? 41.25 52.09 3.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.471 ' CD1' ' HB3' ' A' ' 64' ' ' PHE . 0.2 OUTLIER -64.01 151.22 43.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 179.903 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.0 p -161.09 123.43 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.138 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.3 tttm -58.5 131.77 51.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.3 mt -67.85 -53.29 31.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.076 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 26.6 t -111.83 178.8 4.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.839 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 158.53 119.31 0.56 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.471 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 176.43 6.8 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.672 2.248 . . . . 0.0 112.343 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 75.6 m -123.76 128.4 49.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.814 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.5 t -95.39 -63.02 1.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.462 179.994 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.7 m -61.77 171.08 1.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.899 0.381 . . . . 0.0 110.848 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -131.56 41.89 3.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.892 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.45 41.07 98.45 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.485 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -63.99 82.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.866 0.365 . . . . 0.0 110.834 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -119.82 -61.66 1.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 53.91 -144.26 27.5 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.526 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.45 159.14 53.17 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.488 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.531 ' HA ' ' C ' ' A' ' 10' ' ' PRO . 5.8 p90 -156.9 151.6 20.7 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.666 0.746 . . . . 0.0 110.918 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 9' ' ' TYR . 53.6 Cg_endo -69.75 -41.78 0.85 Allowed 'Cis proline' 0 C--N 1.341 0.155 0 C-N-CA 122.741 -1.774 . . . . 0.0 112.339 -0.071 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -129.13 78.36 1.85 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 63.87 -154.57 46.28 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.497 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 67.2 p -80.98 154.23 27.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.821 0.343 . . . . 0.0 111.101 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.6 t -122.71 115.99 23.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -118.73 160.66 21.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.058 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -117.49 173.2 6.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.097 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.566 ' CD2' ' C ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -156.43 143.06 18.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.487 ' O ' ' CD2' ' A' ' 17' ' ' LEU . 26.9 mmm-85 -64.37 121.9 15.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.818 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -102.54 154.74 18.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.5 p -123.83 144.21 49.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.154 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -149.34 -123.3 1.24 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.498 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.3 p -164.07 133.12 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.764 0.316 . . . . 0.0 111.164 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.488 ' CD1' HG12 ' A' ' 33' ' ' ILE . 28.4 mm -62.17 95.75 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -72.8 -43.72 62.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.409 ' HD3' ' N ' ' A' ' 26' ' ' LEU . 5.9 tmtm? -141.78 150.4 41.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.409 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 2.9 tp -144.36 138.76 28.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.9 mp -128.99 -174.77 3.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.93 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 82.9 m -78.61 -24.05 45.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.164 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.9 m -97.69 -41.91 7.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -162.27 -175.69 4.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.902 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.479 ' O ' ' CD1' ' A' ' 44' ' ' PHE . . . -150.96 164.79 30.09 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.499 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -108.79 144.9 36.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.867 0.365 . . . . 0.0 110.867 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.541 HG21 ' CE1' ' A' ' 64' ' ' PHE . 38.4 mt -121.79 117.03 51.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.149 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.09 102.09 10.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.483 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 85.9 m -57.24 126.48 27.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.9 m -89.19 6.01 42.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -109.39 -45.09 3.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.863 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.483 ' HG2' ' CB ' ' A' ' 35' ' ' CYS . 4.4 ptp180 -99.31 -11.4 21.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 62.75 48.78 4.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -135.37 141.19 45.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.533 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 10.9 ptt85 -83.4 102.79 12.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.427 ' CD2' ' O ' ' A' ' 75' ' ' PRO . 12.2 mt -83.22 172.54 12.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.487 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -127.4 105.64 8.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.479 ' CD1' ' O ' ' A' ' 31' ' ' GLY . 2.2 p90 -102.04 140.38 36.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -93.54 141.54 28.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 33.9 m -53.28 -15.59 1.01 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.3 t -80.1 -32.51 39.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.814 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -62.11 -50.65 71.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.954 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -50.96 132.64 27.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.941 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 34.0 m-80 -86.31 -38.98 16.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.46 -141.77 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.475 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.436 ' O ' ' C ' ' A' ' 53' ' ' LEU . 32.8 t-20 -122.02 112.24 18.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.826 0.346 . . . . 0.0 110.898 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 52' ' ' ASN . 4.0 mm? -34.73 -43.37 0.18 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -45.71 -49.07 15.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -65.1 -37.47 87.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.4 tp -69.94 158.27 35.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.942 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.6 pttt -167.29 171.12 10.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 54.6 t -76.45 125.64 36.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.096 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 102.07 19.13 15.45 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.468 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.27 142.26 47.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.831 0.348 . . . . 0.0 110.83 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -76.47 136.33 39.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.451 HG21 ' CD1' ' A' ' 23' ' ' ILE . 1.6 m -147.71 160.77 7.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -116.41 131.66 56.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.541 ' CE1' HG21 ' A' ' 33' ' ' ILE . 18.5 p90 -141.05 176.69 8.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -121.9 120.69 35.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 83.3 t -72.17 114.8 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.111 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.2 m -126.11 175.56 7.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -107.73 130.28 54.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.85 -179.802 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -64.34 168.62 5.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.861 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -103.39 1.35 32.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -119.8 -46.01 2.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 78.4 p -109.53 -8.96 14.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.121 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 55.31 16.97 10.54 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.444 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.2 mmtt -80.94 152.92 72.26 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.565 0.698 . . . . 0.0 110.871 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.427 ' O ' ' CD2' ' A' ' 42' ' ' LEU . 53.5 Cg_endo -69.81 103.08 1.11 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.665 2.244 . . . . 0.0 112.344 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 10.2 pt -114.53 169.37 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -94.68 143.91 26.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.078 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 15.7 m -145.13 160.15 13.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.123 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.7 mtmm 46.29 50.43 12.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.475 ' CD1' ' HB3' ' A' ' 64' ' ' PHE . 0.2 OUTLIER -62.35 155.95 23.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 179.919 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.7 p -164.65 118.81 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.094 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.2 tttm -56.93 132.56 53.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.1 mt -66.98 -62.75 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.104 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 50.6 m -95.87 167.22 11.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 139.84 83.41 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.453 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 87' ' ' SER . 54.0 Cg_endo -69.73 116.7 4.68 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.71 2.273 . . . . 0.0 112.324 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 86' ' ' PRO . 98.5 p -36.23 114.58 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 89.1 p -95.35 177.64 5.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.839 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.547 -179.984 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.8 m -116.17 116.24 27.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.883 0.373 . . . . 0.0 110.855 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.2 m -156.18 159.83 39.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.813 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.27 88.29 0.12 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.488 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.3 p -93.94 42.01 1.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.888 0.375 . . . . 0.0 110.889 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.9 p -150.38 169.2 21.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.33 65.81 4.05 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.546 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -174.15 91.62 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.464 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.53 ' HA ' ' C ' ' A' ' 10' ' ' PRO . 2.1 p90 -138.29 153.8 73.28 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.683 0.754 . . . . 0.0 110.888 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 9' ' ' TYR . 53.9 Cg_endo -69.76 132.12 21.32 Favored 'Cis proline' 0 C--N 1.341 0.157 0 C-N-CA 122.67 -1.804 . . . . 0.0 112.312 -0.074 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -46.24 129.65 10.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 64.71 112.43 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.485 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.9 p -94.2 100.17 12.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.76 0.314 . . . . 0.0 111.161 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 18.1 m -147.26 132.43 18.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -110.88 164.64 12.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.055 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -126.73 145.9 50.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.084 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.465 ' CD1' ' C ' ' A' ' 17' ' ' LEU . 2.0 tm? -92.54 112.2 24.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.406 ' NH2' ' O ' ' A' ' 79' ' ' LYS . 11.8 mmm180 -101.16 126.01 47.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.46 ' HG3' ' CG2' ' A' ' 66' ' ' VAL . 11.3 mm-40 -101.94 152.52 20.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 31.7 p -124.3 139.35 53.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.16 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -148.3 -134.03 2.38 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.453 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.424 ' O ' ' N ' ' A' ' 34' ' ' GLN . 7.8 p -152.34 149.65 13.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.817 0.341 . . . . 0.0 111.14 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.456 ' CG2' ' HA ' ' A' ' 58' ' ' VAL . 24.0 mm -79.91 93.69 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -68.71 -46.42 69.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.477 ' HD3' ' N ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -140.28 153.13 46.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.477 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 2.7 tp -143.31 138.19 29.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.9 mp -129.49 -174.51 3.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 63.6 m -78.45 -28.59 46.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.0 m -91.92 -44.73 8.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -158.95 -175.02 5.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.898 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.566 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -148.88 161.53 28.71 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.473 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -103.49 149.08 25.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.899 0.381 . . . . 0.0 110.822 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.574 HG21 ' CE1' ' A' ' 64' ' ' PHE . 26.8 mt -128.43 114.21 33.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.162 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.467 ' NE2' ' HG3' ' A' ' 41' ' ' ARG . 1.8 tp60 -82.07 102.19 10.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.4 m -50.61 146.9 5.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 17.8 m -106.6 -5.98 18.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -104.19 -35.55 7.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.449 ' CD ' ' HB3' ' A' ' 40' ' ' ALA . 10.7 ptm180 -107.59 -15.47 14.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 63.53 42.59 6.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.934 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.449 ' HB3' ' CD ' ' A' ' 38' ' ' ARG . . . -121.61 141.79 50.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.467 ' HG3' ' NE2' ' A' ' 34' ' ' GLN . 12.5 mtm-85 -80.61 99.04 7.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.477 ' CD2' ' O ' ' A' ' 75' ' ' PRO . 9.9 mt -84.72 162.68 19.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.452 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -121.01 111.97 18.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.885 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.566 ' CD2' ' O ' ' A' ' 31' ' ' GLY . 1.9 p90 -106.25 139.61 40.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -94.33 143.39 26.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 11.2 p -52.98 -15.77 0.87 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 43.1 t -80.8 -30.75 35.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 47.4 mm-40 -64.11 -49.78 70.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.955 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -50.97 121.93 6.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -87.52 11.15 15.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.903 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -117.87 -137.5 5.79 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.5 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 53' ' ' LEU . 5.0 t-20 -125.68 104.57 8.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.915 0.388 . . . . 0.0 110.881 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 52' ' ' ASN . 4.1 mm? -34.6 -44.03 0.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -45.26 -48.75 12.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -65.2 -37.47 87.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.8 tp -64.52 165.15 10.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.4 ptmt -167.47 161.32 13.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.456 ' HA ' ' CG2' ' A' ' 23' ' ' ILE . 44.1 t -73.7 116.19 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.127 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 109.7 23.36 6.26 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.441 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -123.4 130.9 53.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.834 0.35 . . . . 0.0 110.867 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -59.1 139.57 56.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.2 m -150.72 142.63 16.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -99.87 138.8 36.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.574 ' CE1' HG21 ' A' ' 33' ' ' ILE . 9.1 p90 -148.06 176.83 9.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -120.83 112.72 19.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.46 ' CG2' ' HG3' ' A' ' 19' ' ' GLU . 90.1 t -69.18 120.79 17.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -132.89 -179.4 5.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 63.6 m -111.3 133.94 53.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.831 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -70.54 169.7 13.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.821 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -106.39 -3.17 21.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 73.1 mmt-85 -112.5 -40.73 4.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 66.5 p -113.42 -19.99 11.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.084 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 66.7 14.87 63.48 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.525 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.7 mttt -83.03 154.41 67.29 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.58 0.705 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.477 ' O ' ' CD2' ' A' ' 42' ' ' LEU . 53.7 Cg_endo -69.77 99.42 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.674 2.249 . . . . 0.0 112.346 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 11.2 pt -109.56 167.26 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -96.72 146.66 24.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.07 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 26.5 m -145.26 159.53 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.406 ' O ' ' NH2' ' A' ' 18' ' ' ARG . 20.7 mttt 46.65 51.43 12.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.46 ' CD1' ' HB3' ' A' ' 64' ' ' PHE . 0.2 OUTLIER -64.27 148.06 51.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 27.6 m -157.34 121.49 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.177 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 17.4 tttm -58.33 129.91 44.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 7.3 mt -64.4 -54.33 32.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.109 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.8 t -68.45 104.23 1.85 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.828 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 158.97 63.35 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 144.38 53.79 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.683 2.256 . . . . 0.0 112.376 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 42.3 t -88.72 135.9 33.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 84.4 p -61.82 -47.56 84.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.517 179.978 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.6 p -147.38 122.91 10.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.891 0.377 . . . . 0.0 110.868 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.8 t -84.68 87.34 7.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.872 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.91 -165.49 16.48 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.47 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.1 m -159.8 106.63 1.65 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.889 0.376 . . . . 0.0 110.845 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m 57.75 43.78 21.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.9 131.91 52.1 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.501 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 110.59 -130.64 9.95 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.526 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.544 ' HA ' ' C ' ' A' ' 10' ' ' PRO . 7.5 p90 -144.07 151.2 51.58 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.707 0.765 . . . . 0.0 110.921 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.544 ' C ' ' HA ' ' A' ' 9' ' ' TYR . 54.0 Cg_endo -69.77 138.83 51.17 Favored 'Cis proline' 0 C--N 1.342 0.194 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.299 -0.013 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -73.72 110.64 8.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.4 170.87 15.82 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.512 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 74.6 p -92.69 165.0 13.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.793 0.33 . . . . 0.0 111.108 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 78.0 p -57.91 138.47 55.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -152.84 172.6 16.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.117 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.6 136.81 45.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.085 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.471 HD21 ' N ' ' A' ' 18' ' ' ARG . 1.5 tm? -111.74 119.01 37.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.471 ' N ' HD21 ' A' ' 17' ' ' LEU . 22.8 mmm-85 -83.64 127.73 33.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.83 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -105.79 155.03 19.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 26.8 p -117.88 141.08 48.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.158 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -146.4 -138.48 3.19 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.456 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.485 ' CG1' ' O ' ' A' ' 22' ' ' VAL . 2.0 p -154.52 123.16 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.781 0.325 . . . . 0.0 111.122 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.5 mm -53.33 93.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.09 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -67.15 -39.49 86.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.464 ' CE ' HD12 ' A' ' 27' ' ' LEU . 0.6 OUTLIER -145.48 158.17 43.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.425 ' N ' ' HD2' ' A' ' 25' ' ' LYS . 6.2 tp -144.24 133.07 22.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.468 HD11 ' N ' ' A' ' 27' ' ' LEU . 2.8 mp -126.56 -173.63 2.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.53 -27.58 25.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.2 p -95.05 -23.65 17.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -176.53 -175.05 0.62 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.587 ' HA3' ' CE1' ' A' ' 44' ' ' PHE . . . -148.44 160.83 28.49 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.494 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -105.19 154.71 19.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.827 0.346 . . . . 0.0 110.881 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.576 HD12 ' CD1' ' A' ' 44' ' ' PHE . 43.5 mt -137.54 114.54 12.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.417 ' NE2' ' HG3' ' A' ' 41' ' ' ARG . 3.5 tp60 -83.69 103.9 13.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.452 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 58.4 m -51.78 137.48 25.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 56.3 m -98.64 2.27 47.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -110.85 -41.39 4.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.848 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.452 ' HG2' ' CB ' ' A' ' 35' ' ' CYS . 10.2 ptm180 -101.25 -14.16 17.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 63.83 44.77 4.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -127.3 138.88 53.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.084 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.417 ' HG3' ' NE2' ' A' ' 34' ' ' GLN . 15.4 mtp180 -80.85 102.65 10.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.4 mt -85.45 172.59 10.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.499 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -128.35 106.25 8.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.587 ' CE1' ' HA3' ' A' ' 31' ' ' GLY . 2.2 p90 -102.18 138.14 39.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.866 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -89.82 138.89 31.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 4.1 m -50.77 -17.4 0.54 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.8 t -79.13 -31.82 44.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.407 ' CD ' ' HA ' ' A' ' 78' ' ' VAL . 46.9 mm-40 -59.34 -54.53 45.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -53.59 121.58 8.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -76.86 -41.04 45.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.69 -145.11 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.474 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 53' ' ' LEU . 48.6 t30 -116.64 110.9 19.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.827 0.346 . . . . 0.0 110.875 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 52' ' ' ASN . 4.1 mm? -35.22 -39.47 0.11 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -47.13 -49.06 22.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -63.11 -37.61 87.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.839 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.424 ' C ' ' HG2' ' A' ' 57' ' ' LYS . 9.1 tp -65.98 147.09 53.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.424 ' HG2' ' C ' ' A' ' 56' ' ' LEU . 9.3 mtmt -148.21 164.71 33.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 39.9 t -80.59 99.62 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 130.7 -1.39 5.57 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.464 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -95.11 157.91 15.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.813 0.339 . . . . 0.0 110.823 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.02 138.76 32.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.421 ' CG1' HD13 ' A' ' 56' ' ' LEU . 0.9 OUTLIER -152.08 142.48 15.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.077 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -99.32 130.44 45.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.864 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.552 ' CE1' HG21 ' A' ' 33' ' ' ILE . 15.7 p90 -138.63 176.76 8.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -122.07 121.92 38.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.5 t -70.67 118.59 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.106 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.5 178.09 5.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.875 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 28.2 p -126.97 128.22 46.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -65.66 172.21 3.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -107.67 -3.97 18.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.1 mtp180 -109.8 -38.45 5.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 16.6 p -118.08 -15.19 9.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.106 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 60.39 15.85 40.52 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.477 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 35.0 mmtm -77.34 152.3 81.39 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.596 0.712 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 105.58 1.51 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.705 2.27 . . . . 0.0 112.365 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 20.6 pt -115.97 148.86 18.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -84.71 143.13 29.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.055 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.407 ' HA ' ' CD ' ' A' ' 48' ' ' GLN . 30.3 m -145.97 164.7 9.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.118 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 6.3 mmtp 46.83 48.19 15.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.477 ' CD1' ' HB3' ' A' ' 64' ' ' PHE . 0.2 OUTLIER -61.9 154.07 27.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.955 179.898 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 5.2 m -158.47 126.05 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 25.4 tttp -65.09 124.08 21.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.938 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 5.2 mt -62.29 -48.94 86.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 71.7 p -95.89 152.33 18.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.817 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 136.02 86.39 0.21 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.527 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 162.4 42.19 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.663 2.242 . . . . 0.0 112.391 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 68.7 m -85.78 97.6 10.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.6 m -169.77 128.88 0.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.866 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.449 -179.998 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.4 p -91.57 95.43 9.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.861 0.363 . . . . 0.0 110.835 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.8 p -127.31 159.63 33.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.831 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.22 148.22 11.55 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.476 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.4 p -111.33 43.44 1.49 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.842 0.353 . . . . 0.0 110.855 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.7 t -79.25 166.59 21.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.826 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.79 -168.96 29.79 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.462 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 9' ' ' TYR . . . 141.37 -167.2 25.87 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.454 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.526 ' HA ' ' C ' ' A' ' 10' ' ' PRO . 4.8 p90 -35.98 154.18 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.67 0.748 . . . . 0.0 110.912 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 9' ' ' TYR . 53.8 Cg_endo -69.74 175.71 35.43 Favored 'Cis proline' 0 C--N 1.341 0.132 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.341 -0.069 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -90.29 -54.87 3.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -128.17 171.36 19.37 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.1 t -106.24 -47.55 3.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.811 0.339 . . . . 0.0 111.175 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.0 p -133.82 39.13 3.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -174.95 129.38 0.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.096 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -174.69 144.02 0.81 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.562 ' CD2' ' C ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -171.38 141.64 1.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.2 mmm-85 -75.48 118.39 18.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -95.29 153.75 17.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.3 p -126.31 142.93 51.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.139 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -153.46 -131.41 1.59 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.492 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.45 ' CG1' ' HB3' ' A' ' 34' ' ' GLN . 9.4 p -151.79 149.05 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.813 0.339 . . . . 0.0 111.111 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.473 ' CG2' ' HA ' ' A' ' 58' ' ' VAL . 3.4 mm -76.12 95.23 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -68.75 -47.02 67.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.453 ' HD3' ' N ' ' A' ' 26' ' ' LEU . 1.3 tmtt? -143.74 151.66 40.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.453 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 2.5 tp -140.74 138.51 34.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.473 HD11 ' N ' ' A' ' 27' ' ' LEU . 3.9 mp -126.15 -174.57 3.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.9 m -81.82 -18.5 43.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.202 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.7 t -105.33 -39.93 6.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -159.35 -175.41 5.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.951 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.493 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -154.16 161.81 30.23 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.503 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -106.14 147.29 29.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.861 0.363 . . . . 0.0 110.863 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.495 HG23 ' CZ ' ' A' ' 64' ' ' PHE . 24.2 mt -125.63 115.52 43.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.112 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.45 ' HB3' ' CG1' ' A' ' 22' ' ' VAL . 1.1 tp60 -73.42 109.41 6.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 72.1 m -64.42 132.18 49.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 68.3 m -96.53 3.78 52.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -107.58 -42.23 4.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.464 ' HB2' ' CZ ' ' A' ' 38' ' ' ARG . 3.3 ptm85 -105.33 -9.32 17.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 62.33 46.56 5.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -133.57 139.85 46.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.09 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.502 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 12.7 ptt85 -79.53 105.28 10.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.2 mt -82.55 170.97 14.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.519 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -126.36 103.94 7.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.493 ' CD2' ' O ' ' A' ' 31' ' ' GLY . 1.8 p90 -99.43 139.69 34.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -93.77 141.46 28.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 17.3 p -50.08 -19.26 0.7 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 40.0 t -76.66 -33.44 58.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 49.0 mm-40 -61.63 -52.62 63.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.928 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -53.84 126.87 23.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.952 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -77.16 -46.63 22.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -60.66 -141.62 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.546 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -123.58 113.29 18.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.878 0.37 . . . . 0.0 110.848 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -39.13 -40.2 0.68 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.8 mm100 -46.62 -46.39 19.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.937 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -69.85 -37.43 76.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.2 tp -58.73 160.28 5.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.4 pttt -164.13 160.43 21.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.473 ' HA ' ' CG2' ' A' ' 23' ' ' ILE . 90.1 t -76.08 128.13 37.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.145 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 105.09 16.7 15.84 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.505 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -121.61 139.33 53.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.834 0.35 . . . . 0.0 110.855 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.08 143.32 55.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -152.35 144.24 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -101.02 136.97 40.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.495 ' CZ ' HG23 ' A' ' 33' ' ' ILE . 14.6 p90 -148.82 176.74 10.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.916 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -122.42 121.57 36.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 86.5 t -72.66 124.03 28.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.15 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.9 t -133.54 177.32 7.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.858 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 71.2 m -109.82 132.63 53.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.871 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -68.27 171.59 6.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -108.5 3.26 22.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 73.4 mtm-85 -117.88 -40.73 2.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.925 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 19.9 p -118.01 -15.68 9.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.192 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 65.08 15.83 61.19 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.501 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.1 mmtp -78.11 152.64 79.52 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.578 0.704 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 101.12 0.88 Allowed 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.689 2.259 . . . . 0.0 112.33 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 10.0 pt -112.08 167.81 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -94.77 149.84 20.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.075 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.1 m -149.24 158.48 6.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.159 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.6 mmtt 49.09 47.66 21.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.901 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.472 ' CD1' ' HB3' ' A' ' 64' ' ' PHE . 0.2 OUTLIER -61.01 153.49 25.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.917 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 9.7 p -160.17 122.83 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.4 tttm -62.72 121.74 14.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.9 mt -58.92 -56.94 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.169 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 63.2 m -114.95 132.58 56.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 146.68 84.28 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.466 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 145.92 58.36 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.659 2.239 . . . . 0.0 112.353 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.2 t -86.49 121.18 28.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 84.1 p -155.14 152.39 29.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.498 -179.977 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.5 p -87.54 -46.44 9.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.879 0.371 . . . . 0.0 110.895 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.4 p -97.87 81.5 2.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.841 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.99 -168.56 37.84 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.468 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 m -104.34 95.01 5.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.912 0.387 . . . . 0.0 110.827 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -122.2 135.71 54.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.883 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.87 161.86 0.13 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.523 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 118.02 129.12 4.05 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.491 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.532 ' HA ' ' C ' ' A' ' 10' ' ' PRO . 4.0 m-85 -138.5 151.96 70.13 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.638 0.733 . . . . 0.0 110.901 -179.772 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 9' ' ' TYR . 53.5 Cg_endo -69.76 147.3 84.37 Favored 'Cis proline' 0 C--N 1.341 0.159 0 C-N-CA 122.738 -1.776 . . . . 0.0 112.315 -0.07 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 46.0 m-20 -56.85 152.55 12.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -70.14 86.3 0.31 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.506 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.452 HG22 ' N ' ' A' ' 14' ' ' SER . 90.6 m -114.23 146.28 40.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.793 0.33 . . . . 0.0 111.142 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.452 ' N ' HG22 ' A' ' 13' ' ' THR . 43.8 p -100.47 160.72 14.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.843 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -125.98 146.47 49.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.104 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -104.21 129.41 51.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.078 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.471 ' CD1' ' CD ' ' A' ' 19' ' ' GLU . 1.5 tm? -112.47 118.74 36.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.445 ' N ' HD21 ' A' ' 17' ' ' LEU . 31.1 mmm-85 -77.93 122.26 25.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.471 ' CD ' ' CD1' ' A' ' 17' ' ' LEU . 12.1 mm-40 -97.21 151.47 19.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 34.2 p -117.84 141.42 48.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -148.57 -138.96 3.08 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.507 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.4 p -150.99 139.24 14.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.79 0.329 . . . . 0.0 111.16 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.468 ' CD1' HG23 ' A' ' 62' ' ' VAL . 14.2 mm -66.23 90.5 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -63.42 -50.13 71.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.428 ' HD3' ' N ' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -142.2 155.42 45.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.943 179.906 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.428 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 2.5 tp -141.81 139.48 32.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.916 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.1 mp -126.81 -174.35 3.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 38.6 m -82.88 -13.12 56.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.099 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.9 m -111.42 -41.6 4.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -155.32 -175.01 5.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.587 ' O ' ' CD1' ' A' ' 44' ' ' PHE . . . -153.22 160.33 29.08 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.441 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -104.83 155.09 19.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.824 0.345 . . . . 0.0 110.904 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.574 HG23 ' CE1' ' A' ' 64' ' ' PHE . 33.2 mt -133.88 116.03 22.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.163 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -82.24 91.7 6.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.469 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 8.5 m -39.09 145.49 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.8 m -101.58 -8.38 21.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -104.63 -40.5 5.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.935 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.494 ' O ' ' NE2' ' A' ' 39' ' ' GLN . 11.2 ptm180 -104.94 6.62 33.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.494 ' NE2' ' O ' ' A' ' 38' ' ' ARG . 1.6 pp0? 37.02 49.29 0.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.942 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.67 135.92 53.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.07 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.9 mtt-85 -74.21 96.47 2.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.1 mt -83.2 170.11 15.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.468 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -128.05 111.33 13.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.922 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.587 ' CD1' ' O ' ' A' ' 31' ' ' GLY . 2.1 p90 -107.24 141.3 38.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -94.46 141.92 28.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.848 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 12.8 p -53.61 -15.15 1.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.6 t -81.9 -29.18 32.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.818 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 58.4 mm-40 -64.04 -51.05 65.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.426 ' CE2' ' N ' ' A' ' 52' ' ' ASN . 16.3 t80 -53.76 123.43 12.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -76.4 -35.41 58.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.47 -136.73 0.12 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.485 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 53' ' ' LEU . 7.0 t-20 -129.97 110.51 11.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.822 0.344 . . . . 0.0 110.885 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 52' ' ' ASN . 2.6 mm? -34.16 -46.8 0.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 74.1 mm-40 -41.7 -49.26 4.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -65.05 -35.33 80.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.462 HD13 ' CG1' ' A' ' 62' ' ' VAL . 10.8 tp -69.3 162.24 27.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.1 pttt -162.7 162.85 27.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 25.2 t -74.53 122.31 27.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 104.72 21.71 8.96 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.482 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -121.75 144.84 48.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.826 0.346 . . . . 0.0 110.829 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.41 144.18 48.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.468 HG23 ' CD1' ' A' ' 23' ' ' ILE . 0.9 OUTLIER -157.18 142.47 8.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.129 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -97.29 138.21 35.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.574 ' CE1' HG23 ' A' ' 33' ' ' ILE . 4.7 p90 -148.46 176.78 10.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -122.66 119.16 29.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 80.3 t -72.56 119.15 18.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.119 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.1 t -131.68 177.78 7.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.6 t -109.86 138.81 45.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -75.97 167.12 22.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.855 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -103.19 -1.27 29.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -113.77 -40.64 3.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 56.4 p -114.66 -17.05 11.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.107 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 63.54 16.27 58.42 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.48 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 34.0 mttt -83.39 154.07 65.9 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.527 0.68 . . . . 0.0 110.934 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 99.33 0.74 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.665 2.243 . . . . 0.0 112.349 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 9.6 pt -110.27 164.75 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -92.48 144.29 25.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 16.9 m -145.07 156.1 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.094 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.5 mtmm 52.69 50.55 17.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.467 ' CD1' ' HB3' ' A' ' 64' ' ' PHE . 0.2 OUTLIER -65.33 149.65 49.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 30.0 m -156.79 130.51 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 6.5 tttm -65.44 132.86 50.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.0 mt -73.36 -58.69 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.16 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.5 t -60.06 128.95 39.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -139.29 81.87 0.26 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.465 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 139.23 39.76 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.724 2.283 . . . . 0.0 112.376 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.5 m -70.61 103.12 2.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.861 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.5 t -97.93 95.48 7.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.492 -179.928 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.1 p -123.07 168.12 12.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.926 0.393 . . . . 0.0 110.862 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.4 t -52.73 -46.74 67.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.49 167.1 14.15 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.519 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -92.0 81.9 5.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.861 0.362 . . . . 0.0 110.833 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.7 p -122.23 115.53 22.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.82 -170.21 0.44 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.506 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 114.49 -72.81 0.24 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.508 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.537 ' HA ' ' C ' ' A' ' 10' ' ' PRO . 20.5 p90 -148.79 152.69 37.85 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.721 0.772 . . . . 0.0 110.918 -179.814 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 9' ' ' TYR . 54.2 Cg_endo -69.73 154.07 93.08 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.36 -0.082 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -93.5 149.54 21.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -131.34 99.56 0.42 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.52 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.2 p -102.82 -61.72 1.37 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.824 0.345 . . . . 0.0 111.146 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 74.7 m -86.24 149.83 24.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.884 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -103.3 -8.95 19.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.126 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.29 122.01 15.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.048 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.436 ' CD1' ' HG2' ' A' ' 19' ' ' GLU . 0.9 OUTLIER -118.47 124.89 48.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.923 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.445 ' NH2' ' O ' ' A' ' 79' ' ' LYS . 10.7 mmm180 -85.11 133.42 34.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.436 ' HG2' ' CD1' ' A' ' 17' ' ' LEU . 22.0 mt-10 -110.45 152.71 25.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.4 p -123.21 148.53 45.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -151.52 -131.46 1.77 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.459 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.4 p -156.93 130.82 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.787 0.327 . . . . 0.0 111.142 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.445 HD13 ' CG2' ' A' ' 62' ' ' VAL . 27.7 mm -61.19 92.71 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -71.19 -41.01 70.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.481 ' HD3' ' N ' ' A' ' 26' ' ' LEU . 7.3 tmtm? -144.44 152.97 41.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.481 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 3.6 tp -145.84 136.84 24.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.461 ' N ' HD12 ' A' ' 27' ' ' LEU . 2.6 mp -129.57 -174.72 3.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.915 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 92.8 m -77.81 -31.07 51.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.154 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -89.38 -43.81 10.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.872 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -161.97 -178.66 6.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.938 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.515 ' O ' ' CD1' ' A' ' 44' ' ' PHE . . . -144.4 166.12 27.31 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.492 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -109.3 148.92 30.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.819 0.342 . . . . 0.0 110.883 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.431 ' CD1' HD12 ' A' ' 80' ' ' LEU . 37.1 mt -126.59 117.13 47.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.185 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.467 ' NE2' ' HG3' ' A' ' 41' ' ' ARG . 3.7 tp60 -85.76 91.5 8.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.479 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 13.9 m -42.32 145.42 0.39 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.7 m -103.83 -3.95 24.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -106.62 -41.27 5.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.916 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.509 ' O ' ' CG ' ' A' ' 39' ' ' GLN . 14.7 ptp180 -102.06 -2.9 28.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.509 ' CG ' ' O ' ' A' ' 38' ' ' ARG . 15.6 pt20 47.76 43.08 16.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.948 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.65 134.97 54.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.467 ' HG3' ' NE2' ' A' ' 34' ' ' GLN . 34.4 mtm180 -74.29 98.75 3.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.803 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.475 HD12 ' CE1' ' A' ' 64' ' ' PHE . 11.2 mt -85.5 161.77 19.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.495 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -122.19 110.26 15.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.911 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.515 ' CD1' ' O ' ' A' ' 31' ' ' GLY . 2.5 p90 -104.82 140.33 38.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -94.13 141.18 28.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 6.6 p -51.66 -19.72 1.7 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 48.2 t -76.08 -33.11 59.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 58.8 mm-40 -61.02 -51.33 69.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -53.52 130.09 34.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -79.47 -46.11 18.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -63.35 -139.41 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.485 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' ' 53' ' ' LEU . 4.4 m120 -124.7 110.5 14.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.836 0.351 . . . . 0.0 110.899 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 52' ' ' ASN . 4.1 mm? -34.25 -38.86 0.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.919 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 19.6 mm100 -45.89 -50.04 14.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -64.3 -37.5 87.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.9 tp -63.98 155.45 30.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.2 pttt -158.27 162.86 37.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 52.9 t -75.32 129.13 37.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.12 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.7 19.89 18.68 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -120.14 154.72 34.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.813 0.339 . . . . 0.0 110.857 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -82.45 141.99 32.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.805 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.445 ' CG2' HD13 ' A' ' 23' ' ' ILE . 0.7 OUTLIER -153.67 143.02 14.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -99.59 133.97 43.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.475 ' CE1' HD12 ' A' ' 42' ' ' LEU . 25.5 p90 -143.0 174.49 10.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -121.01 119.58 32.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 98.3 t -72.68 126.43 33.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.17 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.1 t -134.14 176.55 8.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.834 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.4 p -114.13 107.86 16.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.868 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.424 ' HA ' ' NH2' ' A' ' 70' ' ' ARG . 28.7 t70 -49.23 168.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.854 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.424 ' NH2' ' HA ' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -105.72 -16.73 14.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.903 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 49.0 mmt-85 -94.89 -52.4 4.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 45.6 p -100.44 -21.52 15.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 66.3 16.68 65.19 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.7 mtmt -87.43 154.59 54.05 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.605 0.717 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.77 101.91 0.97 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.696 2.264 . . . . 0.0 112.316 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.0 pt -115.59 163.38 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.171 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.417 ' HB1' ' CD1' ' A' ' 64' ' ' PHE . . . -92.13 146.67 23.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 10.4 m -143.06 161.59 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.445 ' O ' ' NH2' ' A' ' 18' ' ' ARG . 12.3 mtmm 46.4 50.06 12.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.859 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.471 ' CD1' ' HB3' ' A' ' 64' ' ' PHE . 0.2 OUTLIER -61.05 147.45 43.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.952 179.883 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.2 m -155.12 120.54 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.165 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.3 tttt -59.64 131.35 50.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.5 mt -70.9 -56.31 11.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.137 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 86.5 p -99.43 125.42 45.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -152.26 86.87 0.14 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.521 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 98.78 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.743 2.295 . . . . 0.0 112.373 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.3 t -72.97 140.33 47.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.844 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 53.3 p -54.24 143.07 24.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.832 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.527 -179.943 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.4 t -62.99 89.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.362 . . . . 0.0 110.815 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.0 m 54.99 45.47 26.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.82 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.28 147.83 6.9 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.466 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -99.34 90.94 4.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.883 0.373 . . . . 0.0 110.881 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.6 p -79.33 -53.59 6.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.861 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.26 125.84 5.17 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.516 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 134.72 140.38 4.24 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.524 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.521 ' HA ' ' C ' ' A' ' 10' ' ' PRO . 15.5 p90 -79.85 155.14 75.63 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.651 0.739 . . . . 0.0 110.906 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 9' ' ' TYR . 54.5 Cg_endo -69.71 134.71 30.42 Favored 'Cis proline' 0 C--N 1.341 0.161 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.369 -0.169 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -54.48 -48.08 72.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -175.63 -168.36 35.91 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.481 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 41.8 p -57.51 163.04 2.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.813 0.34 . . . . 0.0 111.099 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 93.8 p -125.61 120.2 30.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.47 139.02 41.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.079 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -39.71 153.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.526 ' CD2' ' C ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -152.97 155.76 37.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.408 ' NH2' HG21 ' A' ' 81' ' ' VAL . 37.9 mmm-85 -78.21 124.07 27.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -103.38 154.81 19.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 53.5 p -122.68 139.99 53.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.108 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -149.44 -134.71 2.37 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.48 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.513 ' O ' ' N ' ' A' ' 34' ' ' GLN . 9.8 p -152.35 144.31 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.804 0.335 . . . . 0.0 111.123 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.472 ' CG2' ' HA ' ' A' ' 58' ' ' VAL . 9.9 mm -74.47 94.08 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.181 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -70.13 -44.08 69.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.477 ' HD3' ' N ' ' A' ' 26' ' ' LEU . 8.2 tmtm? -141.29 150.73 42.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.477 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 2.5 tp -144.62 139.84 28.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.939 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.7 mp -133.92 -175.69 3.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.2 m -77.22 -28.67 53.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.6 m -91.07 -42.07 10.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.821 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -164.59 -176.56 4.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.936 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.583 ' O ' ' CD1' ' A' ' 44' ' ' PHE . . . -153.04 162.04 29.91 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.531 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -102.54 158.26 16.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.827 0.346 . . . . 0.0 110.887 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.57 HG23 ' CE1' ' A' ' 64' ' ' PHE . 46.2 mt -137.45 107.94 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.072 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.513 ' N ' ' O ' ' A' ' 22' ' ' VAL . 0.3 OUTLIER -71.96 101.5 2.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 179.896 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.474 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 1.1 t -52.34 140.42 21.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 73.4 m -96.04 8.43 43.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -121.4 -40.46 2.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.489 ' NE ' ' CB ' ' A' ' 40' ' ' ALA . 5.9 ptm180 -102.44 -1.87 29.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 46.33 52.08 10.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.489 ' CB ' ' NE ' ' A' ' 38' ' ' ARG . . . -136.09 132.92 36.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.502 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 16.0 ptt85 -73.98 100.35 3.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.863 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.6 mt -81.1 167.87 19.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.48 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -120.78 104.61 10.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.583 ' CD1' ' O ' ' A' ' 31' ' ' GLY . 1.9 p90 -103.36 136.5 43.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.88 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -87.71 139.28 30.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 30.6 m -52.9 -15.77 0.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 40.5 t -78.89 -32.59 45.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.9 mm-40 -60.82 -53.09 61.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.926 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -50.44 124.78 11.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -78.74 -38.59 38.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.84 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -64.74 -138.56 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.505 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' ' 53' ' ' LEU . 3.6 p-10 -128.32 111.87 13.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.885 0.374 . . . . 0.0 110.886 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 52' ' ' ASN . 4.1 mm? -34.23 -42.78 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -44.52 -49.53 9.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -67.2 -37.27 83.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.441 HD12 ' CG1' ' A' ' 62' ' ' VAL . 11.0 tp -67.98 149.01 50.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.9 pttt -156.29 164.57 38.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.472 ' HA ' ' CG2' ' A' ' 23' ' ' ILE . 85.4 t -75.23 118.86 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.106 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 110.51 19.83 7.69 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.512 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -122.14 139.76 53.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.783 0.325 . . . . 0.0 110.876 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -67.4 138.6 56.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.441 ' CG1' HD12 ' A' ' 56' ' ' LEU . 1.6 m -151.85 141.69 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.158 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -98.84 132.24 44.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.57 ' CE1' HG23 ' A' ' 33' ' ' ILE . 20.0 p90 -141.92 176.78 8.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.837 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -122.27 127.69 50.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.863 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 90.8 t -80.4 115.9 23.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.13 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.8 m -127.6 178.98 5.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 41.7 p -112.39 135.89 52.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -71.25 168.98 16.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.846 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -99.57 2.5 44.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 32.6 mtp180 -117.16 -49.91 2.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.406 ' OG1' ' CG ' ' A' ' 74' ' ' LYS . 11.6 p -110.56 -12.33 14.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.168 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 60.86 10.68 20.44 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.482 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.406 ' CG ' ' OG1' ' A' ' 72' ' ' THR . 17.9 mmtp -68.09 152.08 96.73 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.574 0.702 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 100.21 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.663 2.242 . . . . 0.0 112.357 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 10.9 pt -112.51 165.47 7.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.189 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -92.31 148.55 22.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 28.2 m -149.74 157.39 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.122 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 23.3 mtmt 51.36 47.05 25.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.475 ' CD1' ' HB3' ' A' ' 64' ' ' PHE . 0.2 OUTLIER -59.7 152.52 22.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.905 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.434 ' CG1' ' O ' ' A' ' 80' ' ' LEU . 13.5 m -161.35 120.73 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.11 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -60.14 128.19 35.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.5 mt -66.08 -52.95 42.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.7 t -142.27 112.91 7.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -170.01 122.23 0.98 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.453 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 159.34 53.77 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.647 2.232 . . . . 0.0 112.347 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 33.0 p -72.5 -48.63 39.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 92.2 p -127.59 161.97 27.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.863 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.512 -179.981 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -39.39 150.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.872 0.368 . . . . 0.0 110.891 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.5 p -109.21 -17.33 13.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.07 115.42 2.32 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.502 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.68 81.85 0.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.905 0.383 . . . . 0.0 110.877 -179.762 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.8 t -50.66 150.84 2.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.814 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.43 102.69 0.24 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.435 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 103.72 -43.63 1.64 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.516 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.496 ' HA ' ' C ' ' A' ' 10' ' ' PRO . 4.6 m-85 -59.09 160.85 10.5 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.675 0.75 . . . . 0.0 110.936 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 9' ' ' TYR . 54.2 Cg_endo -69.71 138.96 51.66 Favored 'Cis proline' 0 C--N 1.341 0.137 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.354 -0.071 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -135.2 115.14 13.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 13' ' ' THR . . . -79.92 49.42 3.71 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.492 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.438 ' C ' ' O ' ' A' ' 12' ' ' GLY . 29.6 p -34.8 -56.38 0.55 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.824 0.345 . . . . 0.0 111.163 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.1 t -81.75 159.63 23.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.66 -8.85 38.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.096 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.53 171.59 0.43 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.104 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.458 HD23 ' N ' ' A' ' 18' ' ' ARG . 1.3 tm? -156.26 118.33 4.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.458 ' N ' HD23 ' A' ' 17' ' ' LEU . 26.7 mmm-85 -72.56 120.54 18.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -103.03 154.35 19.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 39.3 p -120.52 142.49 49.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.161 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -151.05 -136.04 2.44 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.497 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.468 ' O ' ' N ' ' A' ' 34' ' ' GLN . 9.9 p -151.47 146.02 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.76 0.314 . . . . 0.0 111.151 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.462 ' CG2' ' HA ' ' A' ' 58' ' ' VAL . 13.9 mm -79.0 95.92 2.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -71.38 -46.3 60.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.474 ' HD3' ' N ' ' A' ' 26' ' ' LEU . 0.5 OUTLIER -136.11 154.32 51.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.474 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 4.5 tp -146.13 136.15 23.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.944 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.429 ' N ' HD12 ' A' ' 27' ' ' LEU . 3.6 mp -127.65 -175.48 3.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.5 m -80.31 -25.78 39.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.119 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.0 t -96.0 -37.98 10.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -163.21 -176.32 4.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.556 ' O ' ' CD1' ' A' ' 44' ' ' PHE . . . -150.25 162.74 29.33 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.492 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -106.12 150.24 26.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.779 0.323 . . . . 0.0 110.886 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.54 HD13 ' CD1' ' A' ' 44' ' ' PHE . 30.4 mt -129.82 113.31 26.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 22' ' ' VAL . 7.5 tp60 -77.43 101.74 6.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 6.9 m -53.86 147.51 11.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.4 m -111.07 -4.7 14.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -104.03 -41.8 5.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -100.37 -10.67 20.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 59.47 49.03 9.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -137.18 136.14 37.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.113 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.2 mtm180 -74.21 104.67 5.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.3 mt -86.62 160.94 18.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.513 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -118.15 106.6 13.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 179.919 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.556 ' CD1' ' O ' ' A' ' 31' ' ' GLY . 2.3 p90 -101.88 140.97 35.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -94.56 139.79 30.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 21.1 m -51.61 -20.95 2.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 40.2 t -75.29 -32.65 61.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.8 mm-40 -60.95 -53.34 58.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.936 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -52.0 120.22 5.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 -74.5 -38.17 62.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -63.81 -142.01 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.477 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.43 ' O ' ' C ' ' A' ' 53' ' ' LEU . 1.3 p-10 -125.2 112.96 17.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.828 0.347 . . . . 0.0 110.921 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' A' ' 52' ' ' ASN . 4.0 mm? -35.87 -38.67 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.957 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -47.78 -48.79 30.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.25 -35.09 75.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.4 tp -69.99 152.94 43.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.438 ' CG ' ' OD2' ' A' ' 60' ' ' ASP . 12.0 ptpt -157.75 176.7 12.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.462 ' HA ' ' CG2' ' A' ' 23' ' ' ILE . 86.8 t -87.97 123.49 40.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.127 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 103.74 21.37 9.76 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.535 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.438 ' OD2' ' CG ' ' A' ' 57' ' ' LYS . 45.1 m-20 -121.7 145.92 47.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.833 0.349 . . . . 0.0 110.829 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.54 137.27 47.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.6 m -151.34 141.84 15.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -99.97 133.77 43.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.472 ' HB3' ' CD1' ' A' ' 80' ' ' LEU . 13.7 p90 -141.96 176.74 8.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -122.86 119.67 31.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 67.0 t -72.41 119.84 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.108 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.1 m -123.7 176.37 6.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 53.5 p -115.32 108.81 17.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -47.32 173.93 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.573 ' HE ' ' N ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -111.69 -12.88 13.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.941 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.3 mmt85 -98.61 -46.71 5.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 58.4 p -109.51 -16.22 14.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.186 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 64.0 15.79 58.77 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.0 mmtm -82.51 152.6 67.29 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.559 0.695 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 107.89 1.95 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.667 2.245 . . . . 0.0 112.382 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 12.1 pt -119.89 166.34 14.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.198 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.56 150.42 21.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 31.6 m -151.69 154.52 8.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 22.5 mttt 52.1 46.07 27.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.472 ' CD1' ' HB3' ' A' ' 64' ' ' PHE . 0.2 OUTLIER -57.91 152.28 16.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.939 179.928 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -156.87 123.37 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.164 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 15.5 tttp -63.9 125.99 26.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.8 mt -66.14 -51.49 59.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.168 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 87.8 p -99.61 111.51 23.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -165.1 76.49 0.15 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.463 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 176.91 6.17 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.683 2.255 . . . . 0.0 112.32 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 80.6 p -110.85 155.33 22.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 91.4 p -93.53 143.47 26.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.484 -179.994 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.2 t -141.47 171.5 13.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.898 0.38 . . . . 0.0 110.857 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.6 m -66.69 -48.92 67.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.98 59.89 2.86 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.486 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.3 m 47.51 45.2 17.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.914 0.387 . . . . 0.0 110.88 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.3 p -116.57 42.16 2.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.13 164.74 46.34 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.541 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -98.79 109.52 3.81 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.474 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.497 ' HA ' ' C ' ' A' ' 10' ' ' PRO . 1.8 p90 -148.61 158.03 40.61 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.679 0.752 . . . . 0.0 110.923 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.497 ' C ' ' HA ' ' A' ' 9' ' ' TYR . 54.3 Cg_endo -69.71 171.9 51.33 Favored 'Cis proline' 0 C--N 1.342 0.192 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.383 -0.1 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.424 ' C ' ' OD1' ' A' ' 11' ' ' ASN . 17.6 t-20 -85.36 123.34 30.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.955 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 153.65 -155.25 26.04 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.488 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 19.8 m -68.2 123.95 22.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.825 0.345 . . . . 0.0 111.085 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.0 m -133.01 149.75 52.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.83 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.19 -8.85 13.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.079 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -105.56 166.58 10.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.119 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.46 HD23 ' N ' ' A' ' 18' ' ' ARG . 1.3 tm? -164.75 110.22 0.96 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.937 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.46 ' N ' HD23 ' A' ' 17' ' ' LEU . 26.5 mmm-85 -74.74 121.37 21.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.455 ' HG2' ' CD1' ' A' ' 17' ' ' LEU . 12.6 mt-10 -95.55 154.73 17.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 20.9 p -126.11 140.77 52.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -151.42 -130.27 1.64 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.491 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.9 p -153.14 143.33 14.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.782 0.325 . . . . 0.0 111.13 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.444 ' CG2' ' HA ' ' A' ' 58' ' ' VAL . 4.1 mm -68.28 94.98 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.451 ' OE1' ' CB ' ' A' ' 34' ' ' GLN . 15.4 tp10 -68.02 -48.54 65.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -141.19 153.33 45.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.0 tp -143.04 138.5 30.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.983 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.8 mp -126.5 -175.01 3.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 55.9 m -80.63 -16.69 53.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.3 m -106.47 -39.3 5.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -162.39 -178.97 6.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.592 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -148.11 161.44 28.59 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.467 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.443 ' CE2' ' HB2' ' A' ' 43' ' ' PHE . 71.0 m-85 -107.02 146.17 31.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.786 0.327 . . . . 0.0 110.894 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.477 HD11 ' CD2' ' A' ' 44' ' ' PHE . 19.5 mt -123.06 119.77 58.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.123 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.451 ' CB ' ' OE1' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -79.83 103.89 10.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.914 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.47 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 69.0 m -59.92 116.05 3.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.2 m -80.88 5.96 14.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -108.91 -45.15 3.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.926 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.476 ' CD ' ' HB2' ' A' ' 40' ' ' ALA . 7.2 ptm180 -98.4 -10.52 23.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.902 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 63.12 45.91 4.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.476 ' HB2' ' CD ' ' A' ' 38' ' ' ARG . . . -135.96 143.5 44.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.082 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.508 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 10.2 ptt85 -84.59 104.71 14.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.49 HD12 ' CE1' ' A' ' 64' ' ' PHE . 10.8 mt -83.71 172.15 12.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.544 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -127.02 106.17 9.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.875 179.897 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.592 ' CD2' ' O ' ' A' ' 31' ' ' GLY . 1.8 p90 -101.5 140.41 35.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -94.56 140.98 29.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.829 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 16.2 p -51.99 -19.08 1.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 35.0 t -78.08 -31.31 50.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -62.67 -50.41 71.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.931 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -55.1 127.6 29.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.932 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -77.76 -36.29 50.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -73.07 -142.56 0.53 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.46 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -122.21 118.95 29.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.798 0.332 . . . . 0.0 110.908 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.431 ' N ' HD23 ' A' ' 53' ' ' LEU . 4.0 mm? -44.7 -33.31 1.8 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.936 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -52.53 -41.77 63.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -73.01 -36.11 66.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.2 tp -65.35 163.56 15.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.0 ptmm? -167.34 162.16 14.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.854 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.444 ' HA ' ' CG2' ' A' ' 23' ' ' ILE . 42.9 t -76.51 118.35 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 114.48 16.69 7.47 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.495 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -122.41 147.64 46.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.823 0.344 . . . . 0.0 110.843 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.53 143.85 44.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -154.44 142.92 13.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -97.93 137.5 36.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.49 ' CE1' HD12 ' A' ' 42' ' ' LEU . 39.2 p90 -147.9 176.69 9.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -123.13 129.01 50.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 84.8 t -80.25 117.55 26.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.168 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.1 t -132.05 176.51 8.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.7 p -109.47 133.46 53.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -67.24 169.36 8.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -102.33 -0.11 33.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.856 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.407 ' NH1' ' HB3' ' A' ' 71' ' ' ARG . 3.4 mmm180 -117.65 -40.31 3.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 67.3 p -117.4 -9.84 10.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 54.95 19.76 16.46 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.479 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.2 mmmt -79.1 153.34 77.22 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.563 0.697 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 95.91 0.57 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.673 2.248 . . . . 0.0 112.37 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 9.4 pt -110.17 168.61 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -94.25 153.12 18.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.0 m -152.84 157.89 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.119 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.4 mmpt? 50.76 48.13 23.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.474 ' CD1' ' HB3' ' A' ' 64' ' ' PHE . 0.2 OUTLIER -60.7 157.25 15.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.878 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.468 ' CG1' ' O ' ' A' ' 80' ' ' LEU . 3.4 m -164.85 122.47 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.092 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 25.4 tttt -61.96 124.41 20.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.3 mt -63.8 -51.38 70.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 25.6 t -103.18 109.55 21.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 176.73 71.46 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.5 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 3.51 2.69 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.685 2.257 . . . . 0.0 112.365 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 25.2 m 60.77 44.39 11.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.817 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.0 m -97.54 143.06 28.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.523 179.962 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 . . . . . 0 N--CA 1.458 -0.054 0 CA-C-O 120.776 0.322 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.673 ' OE1' HG21 ' A' ' 66' ' ' VAL . 13.0 mt-10 -106.08 154.14 21.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.1 p -129.64 138.64 51.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.131 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -149.05 -124.59 1.35 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.494 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.8 p -158.01 151.28 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.848 0.356 . . . . 0.0 111.118 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.496 HD13 HG12 ' A' ' 33' ' ' ILE . 8.5 mm -78.81 93.2 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.145 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -69.18 -48.18 62.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.456 ' HD3' ' N ' ' A' ' 26' ' ' LEU . 6.6 tmtm? -135.62 152.07 50.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.456 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 2.6 tp -145.5 138.77 26.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.454 ' N ' HD12 ' A' ' 27' ' ' LEU . 3.1 mp -131.49 -177.41 4.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.958 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 88.2 m -76.54 -25.41 54.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 t -94.81 -40.64 9.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.833 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -165.54 -175.02 3.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.418 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -150.24 166.09 29.98 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.521 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.401 ' CD1' ' N ' ' A' ' 32' ' ' PHE . 6.4 m-85 -111.37 143.5 42.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.825 0.345 . . . . 0.0 110.905 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.944 ' CD1' HD11 ' A' ' 80' ' ' LEU . 21.9 mt -120.05 117.8 54.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -77.42 103.0 7.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.49 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 74.3 m -60.1 117.36 5.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.8 m -85.9 10.79 12.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -112.41 -42.32 3.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.49 ' HG2' ' CB ' ' A' ' 35' ' ' CYS . 3.1 ptm85 -102.62 -7.22 21.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 63.08 38.86 10.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -130.16 144.25 51.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.09 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.501 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 8.8 ptt85 -85.76 110.51 19.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.634 HD12 ' CE2' ' A' ' 64' ' ' PHE . 10.4 mt -88.9 166.76 13.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.544 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -123.25 103.78 8.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.583 ' HB3' HD12 ' A' ' 33' ' ' ILE . 2.3 p90 -98.74 139.48 34.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -92.95 141.8 28.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.83 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 14.0 p -49.11 -21.8 0.81 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.1 t -75.65 -33.02 60.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 42.0 mm-40 -58.87 -53.45 58.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.464 ' HD2' HD22 ' A' ' 53' ' ' LEU . 21.2 t80 -52.96 124.07 13.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -76.28 -41.73 47.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -66.63 -140.44 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.479 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 53' ' ' LEU . 1.4 p-10 -124.23 111.91 16.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.891 0.376 . . . . 0.0 110.86 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.464 HD22 ' HD2' ' A' ' 49' ' ' TYR . 4.1 mm? -36.87 -36.33 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.931 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.9 mm100 -46.55 -48.16 19.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -68.18 -38.08 81.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.687 HD11 HG11 ' A' ' 62' ' ' VAL . 10.7 tp -63.1 158.55 19.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.941 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -161.14 165.03 30.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.486 ' HA ' HG22 ' A' ' 23' ' ' ILE . 39.4 t -77.97 114.49 18.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 114.64 21.73 5.32 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.476 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -125.41 139.35 53.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.851 0.358 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -66.86 145.85 55.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.687 HG11 HD11 ' A' ' 56' ' ' LEU . 0.6 OUTLIER -154.81 142.39 12.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.092 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.561 ' HB3' HG23 ' A' ' 81' ' ' VAL . 6.6 tt0 -97.32 136.61 37.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.929 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.844 ' CE1' HG21 ' A' ' 33' ' ' ILE . 18.2 p90 -147.88 176.33 10.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.491 ' O ' HG22 ' A' ' 78' ' ' VAL . 7.5 tp10 -121.4 122.15 39.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.673 HG21 ' OE1' ' A' ' 19' ' ' GLU . 96.5 t -73.71 119.85 21.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.151 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.413 ' O ' ' HA ' ' A' ' 75' ' ' PRO . 1.7 m -127.4 176.97 7.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.82 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.9 m -117.53 119.76 36.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -58.06 174.7 0.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.836 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.588 ' HE ' ' N ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -112.23 -12.05 13.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.883 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.1 mtm105 -99.74 -37.9 8.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 18.4 p -118.54 -16.46 9.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.159 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 63.22 16.99 58.67 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.462 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.6 mmtp -83.27 152.0 63.83 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.581 0.705 . . . . 0.0 110.936 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.413 ' HA ' ' O ' ' A' ' 67' ' ' SER . 53.6 Cg_endo -69.78 102.59 1.05 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.724 2.283 . . . . 0.0 112.317 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.2 pt -116.3 158.19 16.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.116 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -86.47 153.64 21.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.054 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.491 HG22 ' O ' ' A' ' 65' ' ' GLU . 27.4 m -151.48 159.56 4.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.17 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? 47.05 48.26 15.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.944 HD11 ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -59.51 150.42 26.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.948 179.89 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.561 HG23 ' HB3' ' A' ' 63' ' ' GLU . 5.8 m -156.74 121.89 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.682 ' HA ' HG12 ' A' ' 62' ' ' VAL . 22.6 tttt -58.52 131.07 49.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.9 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.119 179.866 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.8 mmm-85 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.79 0.328 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -95.89 154.81 17.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.481 HG22 ' HG3' ' A' ' 63' ' ' GLU . 24.4 p -122.94 145.26 48.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.107 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -151.24 -133.63 2.06 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.493 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.8 p -154.08 136.92 7.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.818 0.342 . . . . 0.0 111.14 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.861 HD13 HG12 ' A' ' 33' ' ' ILE . 22.6 mm -68.8 92.68 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.144 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -69.61 -39.41 77.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.462 ' HD3' ' N ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -142.49 154.54 44.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.462 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 4.3 tp -147.77 136.2 21.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.407 ' N ' HD12 ' A' ' 27' ' ' LEU . 4.2 mp -127.53 -175.08 3.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 43.0 m -78.47 -28.5 46.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.185 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.4 m -92.8 -41.3 10.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -161.65 -176.22 5.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.93 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.513 ' O ' ' CD1' ' A' ' 44' ' ' PHE . . . -148.26 166.13 29.02 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.483 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -107.56 155.65 19.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.827 0.346 . . . . 0.0 110.873 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.887 HG21 ' CE1' ' A' ' 64' ' ' PHE . 27.6 mt -135.42 112.99 14.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.15 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -79.72 94.7 5.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.485 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 84.9 m -42.69 135.46 2.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.5 m -97.1 1.69 50.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.874 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -110.05 -41.31 4.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.485 ' HG2' ' CB ' ' A' ' 35' ' ' CYS . 9.4 ptm180 -103.72 -1.49 27.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.44 ' OE1' ' C ' ' A' ' 38' ' ' ARG . 3.2 mp0 51.12 47.86 24.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.959 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.402 ' HB3' ' CD ' ' A' ' 38' ' ' ARG . . . -127.68 144.67 51.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.078 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.6 mtt180 -84.25 100.28 11.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.585 HD12 ' HE2' ' A' ' 64' ' ' PHE . 8.4 mt -85.15 168.34 14.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.547 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -126.61 106.6 9.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.74 ' HB3' HD12 ' A' ' 33' ' ' ILE . 2.4 p90 -101.53 140.17 36.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -93.1 140.72 29.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 8.7 p -53.17 -15.67 0.97 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.906 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.7 m -80.77 -31.44 35.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 66.1 mm-40 -63.12 -49.67 73.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.494 ' HD2' HD22 ' A' ' 53' ' ' LEU . 14.1 t80 -52.61 127.77 23.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.951 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -82.84 -32.14 27.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.855 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.14 -133.8 0.16 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.46 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.485 ' N ' ' OD1' ' A' ' 52' ' ' ASN . 0.5 OUTLIER -131.91 110.59 10.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.895 0.379 . . . . 0.0 110.866 -179.909 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.494 HD22 ' HD2' ' A' ' 49' ' ' TYR . 4.1 mm? -39.49 -47.01 1.8 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.47 ' CG ' ' HB2' ' A' ' 52' ' ' ASN . 7.5 pt20 -43.66 -42.41 5.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -73.34 -34.88 65.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.457 HD11 HG11 ' A' ' 62' ' ' VAL . 11.1 tp -65.6 162.64 17.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.3 pttt -162.48 159.74 25.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.75 HG13 ' O ' ' A' ' 23' ' ' ILE . 99.7 t -74.75 120.25 23.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 112.79 16.4 8.63 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.488 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -120.5 141.29 50.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.825 0.345 . . . . 0.0 110.878 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.428 ' O ' HG13 ' A' ' 62' ' ' VAL . 1.8 m-20 -68.88 144.87 54.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.722 HG12 ' HA ' ' A' ' 82' ' ' LYS . 0.5 OUTLIER -156.03 142.25 10.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.481 ' HG3' HG22 ' A' ' 20' ' ' THR . 9.1 tt0 -97.72 136.71 37.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.887 ' CE1' HG21 ' A' ' 33' ' ' ILE . 13.6 p90 -148.27 176.66 10.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.859 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.59 ' O ' HG22 ' A' ' 78' ' ' VAL . 1.5 tt0 -121.44 121.55 37.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.463 HG22 HD11 ' A' ' 42' ' ' LEU . 86.8 t -73.17 123.17 27.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.107 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.7 t -133.66 178.89 6.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 73.6 m -114.8 134.73 54.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.812 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -70.42 176.57 3.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.839 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -108.75 -8.57 15.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.0 mtm180 -112.53 -27.35 8.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 45.5 p -126.26 -13.89 6.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.142 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 54.43 13.92 4.38 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.488 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.0 mmtp -75.57 152.86 85.47 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.568 0.699 . . . . 0.0 110.915 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.479 ' O ' HD22 ' A' ' 42' ' ' LEU . 53.7 Cg_endo -69.71 95.46 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.726 2.284 . . . . 0.0 112.326 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 10.2 pt -107.8 163.28 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.137 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -93.89 143.29 26.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.59 HG22 ' O ' ' A' ' 65' ' ' GLU . 30.2 m -142.23 166.84 15.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.081 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? 43.73 51.24 6.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.836 HD11 ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -64.73 153.07 40.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.922 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 81' ' ' VAL . 33.7 m -157.97 125.51 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.172 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.722 ' HA ' HG12 ' A' ' 62' ' ' VAL . 10.7 tttp -64.45 123.2 18.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.9 mt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.091 179.908 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.7 mmm-85 . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.742 0.306 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -98.37 153.94 18.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.2 p -122.75 140.74 52.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.145 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -149.62 -132.12 2.02 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.482 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.41 ' O ' ' N ' ' A' ' 34' ' ' GLN . 2.7 p -154.31 141.0 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.865 0.364 . . . . 0.0 111.1 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.76 HD13 HG12 ' A' ' 33' ' ' ILE . 5.6 mm -70.62 93.53 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.168 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -67.45 -43.6 80.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.519 ' HD2' HD11 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -140.41 154.79 46.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.909 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.483 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 3.5 tp -146.63 138.15 24.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.944 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.519 HD11 ' HD2' ' A' ' 25' ' ' LYS . 4.8 mp -132.92 -177.56 4.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 46.2 m -76.44 -28.64 56.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.158 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.1 m -90.42 -42.54 10.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.845 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -162.74 -175.55 4.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.875 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.572 ' O ' ' CD1' ' A' ' 44' ' ' PHE . . . -149.45 162.87 29.15 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.505 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -105.91 159.99 15.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.837 0.351 . . . . 0.0 110.888 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.786 ' CD1' HD11 ' A' ' 80' ' ' LEU . 25.0 mt -139.18 113.42 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.153 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.41 ' N ' ' O ' ' A' ' 22' ' ' VAL . 1.2 tp-100 -79.47 99.94 7.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.486 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 29.0 m -46.7 136.06 8.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.5 m -98.67 6.0 47.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -115.27 -38.05 3.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.486 ' HG2' ' CB ' ' A' ' 35' ' ' CYS . 12.4 ptm180 -105.35 -12.15 16.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 62.72 44.49 6.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.402 ' HB3' ' CD ' ' A' ' 38' ' ' ARG . . . -126.26 140.89 52.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.092 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 23.6 mtm180 -81.44 102.72 10.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.533 HD12 ' CE2' ' A' ' 64' ' ' PHE . 9.5 mt -86.28 170.6 11.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.928 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.5 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -127.45 106.39 9.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.745 ' HB3' HD12 ' A' ' 33' ' ' ILE . 2.4 p90 -101.57 140.78 35.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -93.8 138.57 31.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.2 t -51.42 -17.62 0.82 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.874 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.2 t -78.17 -32.54 50.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 51.9 mm-40 -62.92 -50.07 72.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.433 ' CD2' HD22 ' A' ' 53' ' ' LEU . 17.1 t80 -50.6 130.06 23.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.938 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -78.52 -42.12 30.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.28 -151.86 1.4 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.463 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.432 ' O ' ' C ' ' A' ' 53' ' ' LEU . 12.1 t-20 -112.91 113.78 26.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.862 0.363 . . . . 0.0 110.88 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.433 HD22 ' CD2' ' A' ' 49' ' ' TYR . 1.3 mm? -35.06 -35.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.883 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.429 ' N ' ' O ' ' A' ' 52' ' ' ASN . 30.0 mm-40 -45.46 -49.83 13.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -68.87 -38.95 80.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.784 HD11 HG11 ' A' ' 62' ' ' VAL . 10.8 tp -66.26 150.54 48.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -154.63 174.08 15.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.928 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.525 HG13 ' O ' ' A' ' 23' ' ' ILE . 42.6 t -83.65 105.95 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.109 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 123.16 19.04 2.99 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.487 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -120.9 132.3 54.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.781 0.324 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.04 140.13 57.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.784 HG11 HD11 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -150.06 151.91 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.102 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.538 ' HB3' HG23 ' A' ' 81' ' ' VAL . 8.5 tt0 -107.97 136.51 47.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.763 ' CE1' HG21 ' A' ' 33' ' ' ILE . 21.6 p90 -148.37 176.77 10.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.485 ' O ' HG22 ' A' ' 78' ' ' VAL . 2.7 tt0 -124.17 123.44 40.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 87.6 t -73.33 117.79 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.8 m -127.53 170.22 12.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -103.14 128.69 50.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -65.32 173.47 2.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.871 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -109.99 1.22 18.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 42.9 mmm-85 -120.16 -47.45 2.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 67.3 p -105.1 -14.5 15.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.187 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 60.69 17.39 49.16 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.45 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 45.3 mmtt -85.05 152.53 58.92 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.606 0.717 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.513 ' O ' HD22 ' A' ' 42' ' ' LEU . 53.8 Cg_endo -69.72 97.48 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.714 2.276 . . . . 0.0 112.319 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 8.8 pt -105.71 166.53 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.183 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -94.78 145.06 25.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.158 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.485 HG22 ' O ' ' A' ' 65' ' ' GLU . 30.1 m -144.64 162.96 13.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 35.5 mmtt 44.5 51.38 7.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.912 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.786 HD11 ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -64.57 151.3 44.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.975 179.899 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.607 HG13 ' O ' ' A' ' 80' ' ' LEU . 5.5 m -160.99 117.79 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.14 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.736 ' HA ' HG12 ' A' ' 62' ' ' VAL . 17.4 tttm -56.2 128.65 36.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.7 mt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.924 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.2 mmm-85 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.771 0.32 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -108.36 154.13 22.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.9 p -124.24 151.92 43.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -155.32 -125.98 0.97 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.41 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.2 p -158.75 133.44 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.817 0.341 . . . . 0.0 111.135 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.973 HD11 HG21 ' A' ' 62' ' ' VAL . 26.0 mm -64.39 91.63 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.115 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.3 tp10 -67.15 -38.58 85.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.453 ' HD3' ' N ' ' A' ' 26' ' ' LEU . 5.0 tmtm? -146.52 153.66 40.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.453 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 2.9 tt -147.99 136.94 21.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.421 ' N ' HD12 ' A' ' 27' ' ' LEU . 3.7 mp -128.98 -177.3 4.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 83.8 m -79.46 -19.3 50.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.176 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.7 t -102.72 -41.81 6.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -158.15 -175.55 5.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.966 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.52 ' HA3' ' CE1' ' A' ' 44' ' ' PHE . . . -154.21 167.23 32.31 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.426 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -113.25 156.41 23.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.805 0.336 . . . . 0.0 110.893 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.79 ' CD1' HD11 ' A' ' 80' ' ' LEU . 33.8 mt -136.63 116.18 16.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.137 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -80.46 95.59 6.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.947 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.475 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 74.0 m -42.97 130.24 4.35 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.934 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.6 m -95.19 10.24 36.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -116.99 -36.05 3.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.475 ' HG2' ' CB ' ' A' ' 35' ' ' CYS . 14.2 ptm180 -110.99 -6.62 14.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 59.84 40.59 19.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.425 ' HB3' ' CD ' ' A' ' 38' ' ' ARG . . . -121.26 141.62 50.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.069 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.487 ' HB2' ' CZ ' ' A' ' 41' ' ' ARG . 14.0 mtm105 -82.99 101.91 11.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.617 HD12 ' CE1' ' A' ' 64' ' ' PHE . 8.9 mt -85.21 171.17 12.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.483 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -127.96 108.08 10.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.903 179.92 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.562 ' HB3' HD12 ' A' ' 33' ' ' ILE . 2.5 p90 -103.6 140.92 36.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -96.49 141.81 29.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.4 p -50.99 -20.04 1.23 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.831 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.7 t -74.74 -34.51 62.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -61.92 -49.82 74.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.601 ' HD2' HD22 ' A' ' 53' ' ' LEU . 13.2 t80 -51.96 134.44 31.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -85.37 -38.07 19.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.852 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -74.68 -147.87 1.49 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.49 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 41.5 t-20 -113.97 118.63 34.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.88 0.372 . . . . 0.0 110.927 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.601 HD22 ' HD2' ' A' ' 49' ' ' TYR . 3.2 mm? -47.12 -36.61 8.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -47.88 -40.92 23.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.96 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -76.77 -35.7 57.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.439 HD12 ' HD2' ' A' ' 82' ' ' LYS . 10.1 tp -62.14 144.58 55.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.939 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.3 pttp -150.02 151.39 33.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.749 HG13 ' O ' ' A' ' 23' ' ' ILE . 80.8 t -63.05 129.46 26.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.121 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.77 16.28 26.69 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.481 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -113.16 142.15 46.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.785 0.326 . . . . 0.0 110.868 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.77 135.76 43.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.973 HG21 HD11 ' A' ' 23' ' ' ILE . 1.6 m -146.72 164.92 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.172 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.514 ' HB3' HG23 ' A' ' 81' ' ' VAL . 66.1 tt0 -120.63 135.17 55.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.617 ' CE1' HD12 ' A' ' 42' ' ' LEU . 44.9 p90 -144.48 176.61 9.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.863 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.547 ' O ' HG22 ' A' ' 78' ' ' VAL . 3.8 tt0 -124.72 118.75 27.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.405 HG22 HD11 ' A' ' 42' ' ' LEU . 66.1 t -69.41 116.17 9.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' A' ' 75' ' ' PRO . 2.0 m -126.75 175.81 7.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.0 p -108.25 128.7 54.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.843 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -66.48 165.61 14.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.864 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -103.0 0.73 32.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -119.88 -38.25 2.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 22.2 p -115.93 -12.67 11.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.183 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 59.13 9.2 7.29 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.498 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.2 mmtt -76.37 152.61 83.77 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.582 0.706 . . . . 0.0 110.898 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.512 ' O ' HD22 ' A' ' 42' ' ' LEU . 53.9 Cg_endo -69.78 99.87 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.701 2.267 . . . . 0.0 112.35 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 10.7 pt -110.64 163.37 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.153 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -91.44 146.75 23.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.547 HG22 ' O ' ' A' ' 65' ' ' GLU . 28.0 m -146.08 161.9 10.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.2 mmtt 45.44 51.76 9.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.79 HD11 ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -64.38 156.16 30.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.88 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.664 HG13 ' O ' ' A' ' 80' ' ' LEU . 12.5 m -163.4 119.76 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.149 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.846 ' HA ' HG12 ' A' ' 62' ' ' VAL . 10.6 tttt -59.24 125.65 24.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.4 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.888 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.1 mmm-85 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.776 0.322 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -104.33 154.18 20.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.931 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.5 p -120.27 145.52 46.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -152.3 -137.66 2.61 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.469 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.5 p -150.52 141.0 16.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.803 0.335 . . . . 0.0 111.093 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.874 HD11 HG21 ' A' ' 62' ' ' VAL . 10.9 mm -71.39 95.01 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.097 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -70.45 -46.94 62.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.844 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.57 ' HD2' HD11 ' A' ' 27' ' ' LEU . 7.2 tmtm? -138.38 154.15 48.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.49 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 3.3 tp -146.88 138.27 24.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.925 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.57 HD11 ' HD2' ' A' ' 25' ' ' LYS . 4.5 mp -131.43 -174.87 3.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.3 m -78.91 -28.41 43.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.2 m -92.14 -40.23 11.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -164.21 -175.14 3.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.902 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.531 ' O ' ' CD1' ' A' ' 44' ' ' PHE . . . -151.4 165.32 30.41 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.49 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -108.16 156.91 18.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.863 0.363 . . . . 0.0 110.854 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.82 ' CD1' HD11 ' A' ' 80' ' ' LEU . 37.7 mt -134.89 114.62 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -80.39 93.37 5.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.493 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 68.0 m -43.74 142.1 1.36 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 45.2 m -100.27 -0.54 38.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -108.21 -42.79 4.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.827 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.505 ' O ' ' CG ' ' A' ' 39' ' ' GLN . 9.9 ptm180 -101.75 -0.28 34.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.505 ' CG ' ' O ' ' A' ' 38' ' ' ARG . 11.1 pt20 47.88 43.11 17.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.49 ' HB3' ' NE ' ' A' ' 38' ' ' ARG . . . -123.39 140.51 52.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 27.2 mtp180 -79.27 99.81 7.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.567 HD12 ' CE2' ' A' ' 64' ' ' PHE . 8.7 mt -83.09 169.71 15.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.489 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -127.56 108.74 11.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.614 ' HB3' HD12 ' A' ' 33' ' ' ILE . 2.2 p90 -104.26 140.96 37.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -93.81 139.99 30.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.406 ' HA ' HD21 ' A' ' 53' ' ' LEU . 1.4 p -52.26 -16.29 0.8 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.845 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.9 t -80.19 -31.29 38.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.817 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 57.1 mm-40 -62.31 -50.29 72.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.928 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.439 ' HD2' HD22 ' A' ' 53' ' ' LEU . 12.5 t80 -51.6 127.0 19.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -78.5 -34.11 47.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.915 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -76.55 -140.4 1.06 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.527 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' ' 53' ' ' LEU . 3.7 t-20 -123.5 111.49 16.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.847 0.356 . . . . 0.0 110.877 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 52' ' ' ASN . 3.8 mm? -34.03 -46.24 0.23 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 52.5 mm-40 -42.05 -49.3 4.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -63.93 -35.07 79.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.839 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.601 HD11 HG11 ' A' ' 62' ' ' VAL . 10.4 tp -71.81 159.7 33.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.965 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.7 pttm -159.16 164.26 35.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.417 HG13 ' O ' ' A' ' 23' ' ' ILE . 38.4 t -75.2 127.69 36.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.201 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.3 20.18 16.42 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.51 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -118.8 151.95 37.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.833 0.349 . . . . 0.0 110.858 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.4 ' O ' HG13 ' A' ' 62' ' ' VAL . 1.1 m-20 -80.04 142.87 34.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.874 HG21 HD11 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -155.17 142.48 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.138 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -99.04 128.94 45.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.71 ' CE1' HG21 ' A' ' 33' ' ' ILE . 14.9 p90 -138.55 176.76 8.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.472 ' O ' HG22 ' A' ' 78' ' ' VAL . 2.2 tt0 -123.47 118.75 28.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.413 HG22 HD11 ' A' ' 42' ' ' LEU . 64.8 t -71.21 122.43 23.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.9 t -131.67 172.69 11.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 72.4 m -105.59 130.96 53.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -67.06 165.56 15.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -104.91 1.36 28.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.1 mmp_? -117.49 -41.54 2.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 63.2 p -115.22 -12.72 11.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.164 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 61.34 15.28 44.72 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.461 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.9 mmtt -81.11 152.92 71.78 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.617 0.723 . . . . 0.0 110.872 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 103.01 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.676 2.251 . . . . 0.0 112.375 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 10.6 pt -115.67 159.37 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.12 145.1 25.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.472 HG22 ' O ' ' A' ' 65' ' ' GLU . 28.1 m -144.87 161.49 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.124 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? 47.77 49.92 16.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.82 HD11 ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -62.65 155.13 27.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.592 HG13 ' O ' ' A' ' 80' ' ' LEU . 0.7 OUTLIER -161.47 128.55 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.098 179.882 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.66 ' HA ' HG12 ' A' ' 62' ' ' VAL . 13.9 tttt -66.68 129.64 40.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.877 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.6 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.16 179.873 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.768 0.318 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -111.17 154.22 24.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 24.8 p -124.6 144.61 50.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -148.75 -138.5 3.0 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.514 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.494 ' O ' HG13 ' A' ' 22' ' ' VAL . 6.1 p -152.23 124.88 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.76 0.314 . . . . 0.0 111.113 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.666 HD13 HG12 ' A' ' 33' ' ' ILE . 16.6 mm -56.12 92.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -69.41 -39.93 77.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.442 ' HD2' HD11 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -143.08 154.7 44.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.7 tp -146.1 136.87 24.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.442 HD11 ' HD2' ' A' ' 25' ' ' LYS . 5.0 mp -127.87 -175.87 3.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.921 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.434 HG22 ' O ' ' A' ' 28' ' ' THR . 88.8 m -82.56 -12.92 57.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.4 t -109.44 -37.86 5.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.828 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -161.34 -179.49 7.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.58 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -147.41 158.78 27.83 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.539 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -105.03 146.83 28.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.82 0.343 . . . . 0.0 110.864 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.834 HG21 ' CE1' ' A' ' 64' ' ' PHE . 22.8 mt -126.17 111.82 27.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.94 101.52 7.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.7 m -48.97 137.51 12.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -103.31 6.16 37.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 -179.706 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -116.79 -42.03 3.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.848 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.487 ' HB2' ' CZ ' ' A' ' 38' ' ' ARG . 0.4 OUTLIER -99.91 -13.53 19.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 -179.912 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 63.92 46.98 3.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -131.66 133.84 45.33 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.5 mtt180 -74.39 104.87 5.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.605 HD12 ' HE2' ' A' ' 64' ' ' PHE . 8.6 mt -87.44 166.0 15.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.548 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -124.43 107.28 10.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.789 ' HB3' HD12 ' A' ' 33' ' ' ILE . 2.0 p90 -103.5 141.55 35.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -95.76 142.36 28.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 62.8 m -54.03 -14.87 1.17 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 45.1 t -81.48 -31.07 33.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.801 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 48.6 mm-40 -63.74 -49.63 72.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.442 ' CD2' HD22 ' A' ' 53' ' ' LEU . 21.2 t80 -52.0 129.92 28.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -81.28 -40.98 22.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.29 -141.71 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.439 ' O ' ' C ' ' A' ' 53' ' ' LEU . 1.8 p-10 -122.07 109.68 14.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.35 . . . . 0.0 110.905 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.442 HD22 ' CD2' ' A' ' 49' ' ' TYR . 2.7 mm? -34.38 -42.94 0.15 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -42.91 -49.92 5.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -66.63 -36.88 83.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.719 HD11 HG11 ' A' ' 62' ' ' VAL . 10.2 tp -68.58 144.04 54.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.415 ' HD2' ' CG ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -144.02 169.34 18.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.836 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.58 HG13 ' O ' ' A' ' 23' ' ' ILE . 78.2 t -80.61 115.73 23.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.099 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 115.28 15.91 7.45 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.502 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.415 ' CG ' ' HD2' ' A' ' 57' ' ' LYS . 29.6 m-20 -116.73 145.19 43.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.787 0.327 . . . . 0.0 110.881 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.69 141.28 48.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.751 HG12 ' HA ' ' A' ' 82' ' ' LYS . 0.8 OUTLIER -151.96 146.39 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.129 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -102.75 136.17 43.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.834 ' CE1' HG21 ' A' ' 33' ' ' ILE . 4.7 p90 -146.08 176.72 9.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.609 ' O ' HG22 ' A' ' 78' ' ' VAL . 4.6 tt0 -121.62 115.28 22.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.856 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.497 HG22 HD11 ' A' ' 42' ' ' LEU . 48.6 t -69.74 120.57 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.133 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.5 t -128.6 178.62 6.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.852 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -109.97 126.38 53.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -60.35 163.5 5.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.829 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -99.4 0.69 43.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 20.0 mmt-85 -116.37 -58.18 2.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 34.4 p -99.18 -8.82 24.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 58.97 15.83 29.96 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -78.49 152.32 78.24 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.54 0.686 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 102.25 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.671 2.247 . . . . 0.0 112.337 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 8.1 pt -113.4 161.58 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -91.24 143.36 26.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.609 HG22 ' O ' ' A' ' 65' ' ' GLU . 30.6 m -143.7 163.12 15.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.119 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 39.0 mmtt 45.64 49.1 11.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.83 HD11 ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -62.79 151.72 37.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.479 ' O ' HG13 ' A' ' 81' ' ' VAL . 11.2 p -159.75 123.94 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.073 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.751 ' HA ' HG12 ' A' ' 62' ' ' VAL . 13.4 tttt -59.9 129.36 41.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.7 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.111 179.849 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.0 mmm-85 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.788 0.327 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -105.55 154.9 19.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 18.3 p -125.33 147.84 48.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.121 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -153.93 -135.5 2.12 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.497 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.6 p -151.41 131.81 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.801 0.334 . . . . 0.0 111.124 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.723 ' O ' HG13 ' A' ' 58' ' ' VAL . 5.9 mm -61.2 94.32 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -68.69 -40.7 79.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.468 ' HD3' ' N ' ' A' ' 26' ' ' LEU . 1.8 tmtt? -147.58 153.44 39.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.468 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 3.3 tp -143.19 138.15 29.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.411 ' HG ' ' NZ ' ' A' ' 25' ' ' LYS . 4.3 mp -130.14 -175.79 3.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 48.8 m -79.0 -25.3 43.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -94.65 -41.96 9.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -161.6 -175.27 4.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.602 ' O ' ' CD1' ' A' ' 44' ' ' PHE . . . -149.06 159.65 28.12 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -105.81 148.64 27.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.798 0.332 . . . . 0.0 110.889 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.878 ' CD1' HD11 ' A' ' 80' ' ' LEU . 33.1 mt -128.87 115.43 36.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.134 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -80.21 101.49 8.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.49 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 76.3 m -51.18 127.14 18.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.73 9.11 38.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -115.58 -42.49 3.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.496 ' CD ' ' HB3' ' A' ' 40' ' ' ALA . 14.7 ptm180 -102.96 -6.7 22.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 60.01 34.45 21.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.496 ' HB3' ' CD ' ' A' ' 38' ' ' ARG . . . -119.43 132.2 55.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.08 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 23.4 mtm180 -74.35 111.26 9.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.646 HD11 HG22 ' A' ' 66' ' ' VAL . 8.2 mt -94.59 166.25 12.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.548 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -124.1 108.3 12.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.668 ' HB3' HD12 ' A' ' 33' ' ' ILE . 2.2 p90 -103.29 141.6 35.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -94.81 140.13 30.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.1 t -52.04 -17.57 1.09 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.7 m -79.8 -29.66 40.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.4 ' CG ' ' HA ' ' A' ' 78' ' ' VAL . 62.7 mm-40 -65.34 -43.77 89.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.912 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.437 ' CD2' HD22 ' A' ' 53' ' ' LEU . 13.0 t80 -54.28 132.15 43.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.958 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 36.1 m-20 -80.86 -38.15 28.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -77.89 -144.98 2.35 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.485 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.426 ' O ' ' C ' ' A' ' 53' ' ' LEU . 11.5 t-20 -117.73 112.67 20.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 110.873 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.437 HD22 ' CD2' ' A' ' 49' ' ' TYR . 1.3 mm? -35.17 -40.42 0.13 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.916 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -43.3 -49.43 6.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.925 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -67.28 -36.57 81.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.611 HD11 HG11 ' A' ' 62' ' ' VAL . 11.3 tp -64.91 154.98 35.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.945 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.2 pttt -159.32 160.29 34.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.723 HG13 ' O ' ' A' ' 23' ' ' ILE . 87.4 t -73.43 123.73 29.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.116 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 105.77 21.05 8.89 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.518 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -123.95 143.01 50.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.833 0.349 . . . . 0.0 110.867 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -69.54 142.72 53.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.866 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.639 HG12 ' HA ' ' A' ' 82' ' ' LYS . 1.0 OUTLIER -154.17 142.31 13.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.11 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.421 ' HB3' HG13 ' A' ' 81' ' ' VAL . 6.8 tt0 -98.63 131.28 44.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.723 ' CE2' HG21 ' A' ' 33' ' ' ILE . 33.9 p90 -142.91 176.7 8.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.474 ' O ' HG22 ' A' ' 78' ' ' VAL . 4.8 tp10 -121.23 124.86 45.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.646 HG22 HD11 ' A' ' 42' ' ' LEU . 80.7 t -79.77 114.85 21.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.139 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.3 t -124.1 172.2 9.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.9 p -102.91 123.55 46.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.86 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -58.07 171.66 0.51 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -110.92 0.39 17.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 19.0 mtt-85 -116.87 -34.64 4.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 18.2 p -123.97 -7.44 7.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.132 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 58.48 13.88 18.46 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.465 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.3 mmtp -79.39 152.23 75.71 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.605 0.717 . . . . 0.0 110.858 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.488 ' O ' HD22 ' A' ' 42' ' ' LEU . 53.4 Cg_endo -69.77 102.96 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.66 2.24 . . . . 0.0 112.332 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 8.9 pt -112.64 158.78 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -88.69 143.31 27.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.075 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.474 HG22 ' O ' ' A' ' 65' ' ' GLU . 27.7 m -144.17 162.22 15.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.142 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.0 mttt 46.61 49.88 13.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.878 HD11 ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -62.88 158.23 19.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.972 179.84 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.421 HG13 ' HB3' ' A' ' 63' ' ' GLU . 1.2 p -165.4 131.53 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.167 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.639 ' HA ' HG12 ' A' ' 62' ' ' VAL . 21.4 tttt -67.46 126.61 29.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.1 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.105 179.881 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.7 mmm-85 . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.793 0.33 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -96.68 154.11 17.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.683 HG22 ' HG3' ' A' ' 63' ' ' GLU . 31.0 p -127.75 139.71 52.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -151.38 -124.91 1.17 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.509 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.401 HG12 ' HB3' ' A' ' 34' ' ' GLN . 3.6 p -157.11 151.72 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.805 0.336 . . . . 0.0 111.099 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.601 HD13 HG12 ' A' ' 33' ' ' ILE . 15.4 mm -78.86 90.9 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -65.17 -46.62 80.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.499 ' HD2' HD11 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -139.2 153.22 47.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.932 179.898 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.486 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 2.7 tp -146.28 139.47 25.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.943 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.499 HD11 ' HD2' ' A' ' 25' ' ' LYS . 5.1 mp -131.59 -175.54 3.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.946 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 43.7 m -80.34 -19.25 46.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.132 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.5 m -102.14 -38.71 7.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -165.48 -176.52 4.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -150.93 167.11 30.52 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.449 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -113.61 142.14 46.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.815 0.34 . . . . 0.0 110.882 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.904 HG21 ' CE1' ' A' ' 64' ' ' PHE . 22.3 mt -119.54 119.01 59.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.401 ' HB3' HG12 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -78.36 107.51 11.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.485 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 64.9 m -65.6 110.29 2.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.7 m -80.51 8.88 6.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -109.99 -40.7 4.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.571 ' CD ' ' HB3' ' A' ' 40' ' ' ALA . 11.6 ptm180 -105.05 -6.52 19.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 62.61 39.71 11.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.571 ' HB3' ' CD ' ' A' ' 38' ' ' ARG . . . -132.82 139.48 47.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.096 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.497 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 9.3 ptt85 -83.02 112.69 20.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.647 HD12 ' HE2' ' A' ' 64' ' ' PHE . 9.5 mt -90.77 169.99 10.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.563 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -124.1 105.16 9.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 179.917 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.597 ' HB3' HD12 ' A' ' 33' ' ' ILE . 1.9 p90 -101.23 139.84 36.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.9 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -92.45 140.83 29.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 31.2 m -54.29 -14.87 1.3 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.8 p -81.32 -31.39 33.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.9 mm-40 -63.18 -52.01 64.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -51.69 126.32 17.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.959 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 19.3 p-10 -78.95 -41.04 30.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.5 -143.69 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.428 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' ' 53' ' ' LEU . 51.8 t-20 -123.65 112.62 17.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.939 0.399 . . . . 0.0 110.845 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 52' ' ' ASN . 4.0 mm? -34.56 -43.96 0.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.918 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -43.67 -49.07 7.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -66.25 -36.8 83.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.849 HD11 HG11 ' A' ' 62' ' ' VAL . 10.5 tp -68.74 149.04 49.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.963 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.407 ' HE3' ' CG ' ' A' ' 60' ' ' ASP . 7.3 pttp -155.24 163.73 39.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.49 HG13 ' O ' ' A' ' 23' ' ' ILE . 41.6 t -74.94 109.86 8.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.164 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 119.96 17.35 4.61 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.458 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.407 ' CG ' ' HE3' ' A' ' 57' ' ' LYS . 33.4 m-20 -119.39 139.77 51.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.802 0.334 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.415 ' HB3' HD12 ' A' ' 83' ' ' ILE . 40.8 m-20 -68.13 138.39 55.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.849 HG11 HD11 ' A' ' 56' ' ' LEU . 1.7 m -151.21 141.84 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.161 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.683 ' HG3' HG22 ' A' ' 20' ' ' THR . 12.0 tt0 -99.8 139.12 35.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.904 ' CE1' HG21 ' A' ' 33' ' ' ILE . 16.8 p90 -147.13 176.73 9.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.638 ' O ' HG22 ' A' ' 78' ' ' VAL . 2.6 tt0 -122.81 127.56 49.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.437 HG22 HD11 ' A' ' 42' ' ' LEU . 85.4 t -79.74 119.87 29.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.099 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.3 t -125.06 179.21 5.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 26.1 p -118.36 106.66 12.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.827 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -48.54 170.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.873 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.593 ' HE ' ' N ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -110.9 -13.96 14.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 -179.904 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.0 mmt85 -97.93 -41.16 8.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 43.6 p -112.85 -16.88 12.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 61.78 17.55 54.65 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.506 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 51.1 mmtt -88.84 151.76 47.85 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.538 0.685 . . . . 0.0 110.899 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 102.84 1.08 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.655 2.237 . . . . 0.0 112.348 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.0 pt -115.88 166.03 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -89.62 152.25 21.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.102 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.638 HG22 ' O ' ' A' ' 65' ' ' GLU . 17.2 m -150.98 158.0 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.106 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 32.3 mtmt 48.43 50.22 17.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.869 HD11 ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -63.04 151.06 40.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.927 179.917 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.441 HG23 ' HB3' ' A' ' 63' ' ' GLU . 6.5 m -155.25 129.21 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.124 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.714 ' HA ' HG12 ' A' ' 62' ' ' VAL . 19.9 tttt -66.43 119.23 11.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.415 HD12 ' HB3' ' A' ' 61' ' ' ASP . 1.7 mt . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.135 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 37.1 mmm-85 . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.793 0.33 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -104.43 153.79 20.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.9 p -121.82 147.98 45.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.194 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -155.55 -136.79 2.25 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.0 p -149.97 131.75 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.781 0.324 . . . . 0.0 111.092 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.814 HD13 HG12 ' A' ' 33' ' ' ILE . 20.2 mm -62.69 95.06 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.169 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -69.27 -44.42 71.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.538 ' HD2' HD11 ' A' ' 27' ' ' LEU . 7.4 tmtm? -137.45 154.65 49.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.472 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 3.7 tp -147.89 138.29 22.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.538 HD11 ' HD2' ' A' ' 25' ' ' LYS . 4.7 mp -132.56 -174.81 3.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.9 m -81.09 -22.62 39.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.7 m -97.53 -40.95 8.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.868 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -162.78 178.57 8.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.586 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -145.02 162.4 28.12 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.489 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -108.83 153.05 24.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.77 0.319 . . . . 0.0 110.909 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.814 HG12 HD13 ' A' ' 23' ' ' ILE . 21.5 mt -131.15 114.71 27.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.099 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 35' ' ' CYS . 1.2 tp-100 -78.33 89.06 4.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.407 ' C ' ' O ' ' A' ' 34' ' ' GLN . 64.8 m -37.82 132.64 0.91 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.8 m -98.82 3.1 47.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -108.54 -41.18 4.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -103.18 -11.98 17.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 63.95 50.53 2.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -134.14 145.39 49.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.106 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 35.2 mtm180 -82.86 100.55 10.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.64 HD12 ' CE2' ' A' ' 64' ' ' PHE . 8.3 mt -84.73 164.94 18.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.556 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -123.26 105.1 9.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.876 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.647 ' HB3' HD12 ' A' ' 33' ' ' ILE . 2.3 p90 -101.25 139.14 37.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -91.95 138.9 31.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.4 p -52.91 -15.97 0.91 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.1 m -80.69 -30.79 36.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 71.3 mm-40 -63.58 -45.66 89.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.438 ' HD2' HD22 ' A' ' 53' ' ' LEU . 16.7 t80 -56.82 128.95 39.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -80.15 -36.98 34.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.86 -139.31 0.25 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.546 ' ND2' ' OE1' ' A' ' 54' ' ' GLN . 1.9 t-20 -127.9 109.83 11.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.872 0.368 . . . . 0.0 110.895 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 52' ' ' ASN . 3.8 mm? -34.1 -40.14 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.546 ' OE1' ' ND2' ' A' ' 52' ' ' ASN . 10.2 mp0 -42.41 -50.62 5.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -66.93 -36.88 83.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.665 HD11 HG11 ' A' ' 62' ' ' VAL . 11.7 tp -67.89 147.64 52.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.3 pttp -149.38 156.66 42.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.478 ' HA ' HG22 ' A' ' 23' ' ' ILE . 30.8 t -66.77 114.59 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 113.51 15.47 8.83 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.528 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -115.29 138.28 51.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.748 0.309 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.462 ' O ' HG13 ' A' ' 62' ' ' VAL . 3.6 m-20 -66.23 144.05 56.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.868 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.68 HG12 ' HA ' ' A' ' 82' ' ' LYS . 0.7 OUTLIER -157.07 142.29 8.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.113 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.414 ' HB3' HG23 ' A' ' 81' ' ' VAL . 8.7 tt0 -96.76 133.93 40.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.776 ' CE1' HG21 ' A' ' 33' ' ' ILE . 23.6 p90 -143.92 176.65 9.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.864 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.494 ' O ' HG22 ' A' ' 78' ' ' VAL . 5.8 tp10 -123.03 125.63 45.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.431 HG22 HD11 ' A' ' 42' ' ' LEU . 75.0 t -79.16 121.0 31.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.091 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.2 t -130.5 165.97 21.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.831 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 64.4 p -105.31 109.17 21.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.826 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -48.1 175.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.58 ' HE ' ' N ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -114.5 -16.66 11.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.906 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 32.7 mmt180 -95.97 -41.44 8.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 44.2 p -110.69 -20.97 12.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.193 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 67.47 14.95 65.34 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.43 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.2 mmtt -88.12 152.54 50.68 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.592 0.71 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 105.35 1.47 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.651 2.234 . . . . 0.0 112.345 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.6 pt -118.19 159.02 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.116 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -87.15 149.89 24.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.494 HG22 ' O ' ' A' ' 65' ' ' GLU . 23.6 m -148.25 160.54 6.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.137 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.5 mmpt? 47.54 49.44 16.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.777 HD11 ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -61.68 149.26 40.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.916 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 81' ' ' VAL . 34.3 m -154.42 126.93 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.125 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.68 ' HA ' HG12 ' A' ' 62' ' ' VAL . 7.0 tttm -64.7 123.2 18.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.1 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.086 179.921 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.0 mmm-85 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.76 0.314 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -102.16 154.05 19.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.506 HG22 ' HG3' ' A' ' 63' ' ' GLU . 28.0 p -117.59 141.47 48.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.164 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -149.85 -137.42 2.75 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.456 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.47 ' O ' ' N ' ' A' ' 34' ' ' GLN . 2.9 p -151.17 145.12 16.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.799 0.333 . . . . 0.0 111.11 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.822 HD13 HG12 ' A' ' 33' ' ' ILE . 12.9 mm -77.21 93.61 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.132 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -68.24 -40.51 81.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.466 ' HD3' ' N ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -143.39 155.19 44.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.466 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 4.0 tp -146.97 136.91 23.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.412 ' N ' HD12 ' A' ' 27' ' ' LEU . 4.8 mp -127.87 -174.54 3.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 51.3 m -81.09 -22.51 39.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.104 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.1 m -99.27 -40.27 8.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.848 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -160.08 -175.92 5.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.942 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.498 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -150.3 162.16 29.16 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.48 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -106.81 144.42 33.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.813 0.339 . . . . 0.0 110.92 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.914 ' CD1' HD11 ' A' ' 80' ' ' LEU . 34.4 mt -125.57 110.89 25.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.47 ' N ' ' O ' ' A' ' 22' ' ' VAL . 1.1 tp-100 -78.5 95.83 5.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.497 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 14.3 m -46.91 138.15 6.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 37.8 m -98.53 -11.28 22.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -96.56 -43.8 7.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.497 ' HG2' ' CB ' ' A' ' 35' ' ' CYS . 16.8 ptp180 -98.59 -12.34 21.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.914 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 58.67 54.06 5.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -137.73 137.2 38.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.088 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.471 ' HB2' ' CZ ' ' A' ' 41' ' ' ARG . 16.9 mtm105 -76.24 100.77 5.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.586 HD12 ' CE2' ' A' ' 64' ' ' PHE . 10.5 mt -86.76 164.85 16.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.486 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -121.26 107.99 13.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.641 ' HB3' HD12 ' A' ' 33' ' ' ILE . 1.8 p90 -104.0 141.48 36.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -95.23 141.7 28.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 77.3 m -51.54 -16.84 0.67 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.6 t -80.6 -30.58 36.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.4 mm-40 -62.0 -50.12 73.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.446 ' HD2' HD22 ' A' ' 53' ' ' LEU . 11.0 t80 -56.28 116.53 3.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 61.7 m-20 -81.55 2.48 28.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -102.19 -147.08 19.07 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.488 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -114.34 107.1 15.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.863 0.363 . . . . 0.0 110.894 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.446 HD22 ' HD2' ' A' ' 49' ' ' TYR . 4.1 mm? -39.19 -39.17 0.57 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -50.56 -47.25 57.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -68.81 -30.46 69.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.585 HD11 HG11 ' A' ' 62' ' ' VAL . 10.8 tp -71.85 156.25 39.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.2 ptpp? -163.29 170.31 17.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.95 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.724 HG13 ' O ' ' A' ' 23' ' ' ILE . 97.1 t -82.59 117.77 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.161 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 111.88 19.84 7.11 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.499 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -123.15 128.48 50.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.812 0.339 . . . . 0.0 110.83 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -56.95 140.74 47.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.828 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.705 HG12 ' HA ' ' A' ' 82' ' ' LYS . 1.2 m -152.22 142.31 15.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.158 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.506 ' HG3' HG22 ' A' ' 20' ' ' THR . 12.0 tt0 -99.63 132.78 44.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.885 ' CE1' HG21 ' A' ' 33' ' ' ILE . 18.4 p90 -141.54 176.82 8.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -118.16 119.92 36.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 89.4 t -76.63 118.76 23.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.42 ' O ' ' HA ' ' A' ' 75' ' ' PRO . 1.1 t -131.35 177.27 7.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.865 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.437 ' O ' ' NH2' ' A' ' 70' ' ' ARG . 34.0 p -116.2 121.84 43.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -55.46 178.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.709 ' HE ' ' N ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -104.35 -27.5 11.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.895 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 49.6 mtt-85 -88.76 -59.93 2.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 6.1 p -91.73 -19.27 22.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.185 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 61.85 12.07 33.63 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.498 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.5 mmtt -73.02 153.47 90.83 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.538 0.685 . . . . 0.0 110.889 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.42 ' HA ' ' O ' ' A' ' 67' ' ' SER . 53.8 Cg_endo -69.77 100.27 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.609 2.206 . . . . 0.0 112.375 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 11.1 pt -113.53 162.89 11.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.096 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -95.12 152.66 18.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.081 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 35.3 m -149.72 163.45 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.116 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.6 mmpt? 45.4 48.6 10.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.914 HD11 ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -59.93 151.97 24.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.88 179.911 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.448 HG23 ' HB3' ' A' ' 63' ' ' GLU . 2.1 m -155.41 131.53 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.071 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.705 ' HA ' HG12 ' A' ' 62' ' ' VAL . 25.8 tttt -70.05 122.38 19.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.3 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 179.859 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 42.5 mmm-85 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.775 0.322 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.615 ' OE2' HG21 ' A' ' 66' ' ' VAL . 8.8 mt-10 -99.02 154.17 18.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 35.0 p -123.36 139.83 53.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.152 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -148.85 -133.87 2.31 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.495 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 34' ' ' GLN . 6.7 p -152.36 141.53 14.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.775 0.321 . . . . 0.0 111.125 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.705 HD13 HG12 ' A' ' 33' ' ' ILE . 10.0 mm -73.55 93.3 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -67.02 -43.97 81.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.708 ' HE3' HD11 ' A' ' 27' ' ' LEU . 0.9 OUTLIER -141.26 157.41 45.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.478 ' N ' ' HD2' ' A' ' 25' ' ' LYS . 3.8 tp -146.81 138.04 24.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.708 HD11 ' HE3' ' A' ' 25' ' ' LYS . 4.5 mp -129.03 -175.69 3.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 45.7 m -81.75 -17.63 47.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.136 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 41.0 m -104.44 -40.67 5.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.837 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -157.53 -174.99 5.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.561 ' HA3' ' CE1' ' A' ' 44' ' ' PHE . . . -150.95 159.42 28.15 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.508 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -106.03 143.98 33.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.859 0.361 . . . . 0.0 110.848 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.827 ' CD1' HD11 ' A' ' 80' ' ' LEU . 33.2 mt -125.73 111.66 27.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.162 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 22' ' ' VAL . 1.0 OUTLIER -75.88 95.27 3.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.484 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 18.6 m -40.14 145.62 0.15 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.6 m -107.27 -0.82 22.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -110.75 -36.06 5.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.526 ' CD ' ' HB3' ' A' ' 40' ' ' ALA . 14.2 ptm180 -108.83 0.63 20.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.521 ' CG ' ' O ' ' A' ' 38' ' ' ARG . 5.8 pt20 50.23 33.98 8.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.526 ' HB3' ' CD ' ' A' ' 38' ' ' ARG . . . -114.27 143.91 44.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.084 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 22.2 mtp180 -81.05 108.56 14.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.615 HD12 ' CE1' ' A' ' 64' ' ' PHE . 8.0 mt -91.19 165.61 13.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.623 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -124.34 108.43 12.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.707 ' HB3' HD12 ' A' ' 33' ' ' ILE . 2.4 p90 -105.53 141.13 37.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.868 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -95.32 139.65 31.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 67.6 m -51.09 -20.96 1.63 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.2 t -75.77 -30.85 59.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 68.3 mm-40 -62.78 -49.47 74.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.492 ' HD2' HD22 ' A' ' 53' ' ' LEU . 10.3 t80 -46.95 142.64 3.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.966 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.3 p-10 -88.74 -43.52 11.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -79.23 -155.19 9.06 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.518 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -100.55 122.57 43.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.896 0.379 . . . . 0.0 110.885 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.492 HD22 ' HD2' ' A' ' 49' ' ' TYR . 3.1 mm? -43.96 -34.42 1.69 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -48.33 -45.48 35.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.947 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -68.7 -37.66 79.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.891 HD11 HG11 ' A' ' 62' ' ' VAL . 10.1 tp -69.68 150.48 46.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.9 ptpp? -152.39 172.92 15.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.493 HG13 ' O ' ' A' ' 23' ' ' ILE . 74.3 t -84.21 125.81 40.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.096 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.0 22.58 10.6 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.495 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -123.53 145.72 48.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.793 0.33 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.46 142.02 51.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.891 HG11 HD11 ' A' ' 56' ' ' LEU . 0.6 OUTLIER -154.2 144.61 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -100.66 134.5 43.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.773 ' CE2' HG21 ' A' ' 33' ' ' ILE . 29.0 p90 -144.92 176.73 9.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.494 ' O ' HG22 ' A' ' 78' ' ' VAL . 1.4 tt0 -119.65 117.88 29.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.615 HG21 ' OE2' ' A' ' 19' ' ' GLU . 94.7 t -71.46 119.1 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.421 ' O ' ' HA ' ' A' ' 75' ' ' PRO . 1.3 t -132.09 179.11 6.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 18.5 m -114.29 127.87 56.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -62.33 170.09 2.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.428 ' N ' ' HD2' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -101.49 -12.52 18.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.831 -179.849 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 34.3 mmt180 -100.13 -60.68 1.48 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 25.9 p -94.31 -19.56 20.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.139 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 68.05 12.89 63.52 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.52 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.8 mmtt -75.78 153.53 85.13 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.582 0.706 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.472 ' O ' HD22 ' A' ' 42' ' ' LEU . 53.1 Cg_endo -69.83 98.19 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.667 2.245 . . . . 0.0 112.296 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 8.3 pt -109.52 164.96 5.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.101 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -96.27 147.38 23.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.494 HG22 ' O ' ' A' ' 65' ' ' GLU . 30.9 m -143.39 168.07 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.9 mmpt? 41.25 52.09 3.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.827 HD11 ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -64.01 151.22 43.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 179.903 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.449 ' O ' HG13 ' A' ' 81' ' ' VAL . 10.0 p -161.09 123.43 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.138 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.647 ' HA ' HG12 ' A' ' 62' ' ' VAL . 13.3 tttm -58.5 131.77 51.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.3 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.076 179.906 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.416 HH21 HG12 ' A' ' 81' ' ' VAL . 26.9 mmm-85 . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.765 0.317 . . . . 0.0 110.818 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -102.54 154.74 18.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.5 p -123.83 144.21 49.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.154 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -149.34 -123.3 1.24 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.498 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.3 p -164.07 133.12 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.764 0.316 . . . . 0.0 111.164 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.867 HD11 HG21 ' A' ' 62' ' ' VAL . 28.4 mm -62.17 95.75 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -72.8 -43.72 62.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.591 ' HD2' HD11 ' A' ' 27' ' ' LEU . 5.9 tmtm? -141.78 150.4 41.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.421 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 2.9 tp -144.36 138.76 28.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.591 HD11 ' HD2' ' A' ' 25' ' ' LYS . 3.9 mp -128.99 -174.77 3.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.93 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 82.9 m -78.61 -24.05 45.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.164 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.9 m -97.69 -41.91 7.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -162.27 -175.69 4.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.902 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.479 ' O ' ' CD1' ' A' ' 44' ' ' PHE . . . -150.96 164.79 30.09 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.499 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -108.79 144.9 36.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.867 0.365 . . . . 0.0 110.867 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.87 ' CD1' HD11 ' A' ' 80' ' ' LEU . 38.4 mt -121.79 117.03 51.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.149 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -81.09 102.09 10.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.505 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 85.9 m -57.24 126.48 27.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.9 m -89.19 6.01 42.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -109.39 -45.09 3.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.863 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.505 ' HG2' ' CB ' ' A' ' 35' ' ' CYS . 4.4 ptp180 -99.31 -11.4 21.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 62.75 48.78 4.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -135.37 141.19 45.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.533 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 10.9 ptt85 -83.4 102.79 12.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.522 HD12 ' CE2' ' A' ' 64' ' ' PHE . 12.2 mt -83.22 172.54 12.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.487 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -127.4 105.64 8.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.546 ' HB3' HD12 ' A' ' 33' ' ' ILE . 2.2 p90 -102.04 140.38 36.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -93.54 141.54 28.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 33.9 m -53.28 -15.59 1.01 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.3 t -80.1 -32.51 39.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.814 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -62.11 -50.65 71.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.954 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.461 ' HD2' HD22 ' A' ' 53' ' ' LEU . 13.5 t80 -50.96 132.64 27.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.941 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 34.0 m-80 -86.31 -38.98 16.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.46 -141.77 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.475 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.436 ' O ' ' C ' ' A' ' 53' ' ' LEU . 32.8 t-20 -122.02 112.24 18.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.826 0.346 . . . . 0.0 110.898 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.461 HD22 ' HD2' ' A' ' 49' ' ' TYR . 4.0 mm? -34.73 -43.37 0.18 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -45.71 -49.07 15.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -65.1 -37.47 87.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.75 HD11 HG11 ' A' ' 62' ' ' VAL . 9.4 tp -69.94 158.27 35.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.942 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.6 pttt -167.29 171.12 10.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.5 HG13 ' O ' ' A' ' 23' ' ' ILE . 54.6 t -76.45 125.64 36.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.096 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 102.07 19.13 15.45 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.468 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.27 142.26 47.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.831 0.348 . . . . 0.0 110.83 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -76.47 136.33 39.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.869 HG12 ' HA ' ' A' ' 82' ' ' LYS . 1.6 m -147.71 160.77 7.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -116.41 131.66 56.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.842 ' CE1' HG21 ' A' ' 33' ' ' ILE . 18.5 p90 -141.05 176.69 8.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.591 ' O ' HG22 ' A' ' 78' ' ' VAL . 6.4 tt0 -121.9 120.69 35.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 83.3 t -72.17 114.8 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.111 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.2 m -126.11 175.56 7.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -107.73 130.28 54.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.85 -179.802 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -64.34 168.62 5.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.861 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -103.39 1.35 32.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -119.8 -46.01 2.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 78.4 p -109.53 -8.96 14.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.121 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 55.31 16.97 10.54 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.444 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.2 mmtt -80.94 152.92 72.26 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.565 0.698 . . . . 0.0 110.871 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.47 ' O ' HD22 ' A' ' 42' ' ' LEU . 53.5 Cg_endo -69.81 103.08 1.11 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.665 2.244 . . . . 0.0 112.344 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 10.2 pt -114.53 169.37 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -94.68 143.91 26.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.078 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.591 HG22 ' O ' ' A' ' 65' ' ' GLU . 15.7 m -145.13 160.15 13.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.123 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.7 mtmm 46.29 50.43 12.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.87 HD11 ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -62.35 155.95 23.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 179.919 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.443 ' O ' HG13 ' A' ' 81' ' ' VAL . 6.7 p -164.65 118.81 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.094 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.869 ' HA ' HG12 ' A' ' 62' ' ' VAL . 9.2 tttm -56.93 132.56 53.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.1 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.104 179.852 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.406 ' NH2' ' O ' ' A' ' 79' ' ' LYS . 11.8 mmm180 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.735 0.302 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.474 ' HG3' ' CG2' ' A' ' 66' ' ' VAL . 11.3 mm-40 -101.94 152.52 20.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.674 HG22 ' HG3' ' A' ' 63' ' ' GLU . 31.7 p -124.3 139.35 53.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.16 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -148.3 -134.03 2.38 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.453 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.51 HG12 ' O ' ' A' ' 34' ' ' GLN . 7.8 p -152.34 149.65 13.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.817 0.341 . . . . 0.0 111.14 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.704 HD13 HG12 ' A' ' 33' ' ' ILE . 24.0 mm -79.91 93.69 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -68.71 -46.42 69.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.471 ' HD3' ' N ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -140.28 153.13 46.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.471 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 2.7 tp -143.31 138.19 29.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.9 mp -129.49 -174.51 3.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 63.6 m -78.45 -28.59 46.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.0 m -91.92 -44.73 8.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -158.95 -175.02 5.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.898 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.566 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -148.88 161.53 28.71 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.473 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -103.49 149.08 25.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.899 0.381 . . . . 0.0 110.822 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.838 ' CD1' HD11 ' A' ' 80' ' ' LEU . 26.8 mt -128.43 114.21 33.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.162 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.51 ' O ' HG12 ' A' ' 22' ' ' VAL . 1.8 tp60 -82.07 102.19 10.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.4 m -50.61 146.9 5.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 17.8 m -106.6 -5.98 18.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -104.19 -35.55 7.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -107.59 -15.47 14.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 63.53 42.59 6.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.934 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.61 141.79 50.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.481 ' HG3' ' NE2' ' A' ' 34' ' ' GLN . 12.5 mtm-85 -80.61 99.04 7.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.477 ' CD2' ' O ' ' A' ' 75' ' ' PRO . 9.9 mt -84.72 162.68 19.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.452 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -121.01 111.97 18.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.885 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.764 ' HB3' HD12 ' A' ' 33' ' ' ILE . 1.9 p90 -106.25 139.61 40.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -94.33 143.39 26.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 11.2 p -52.98 -15.77 0.87 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 43.1 t -80.8 -30.75 35.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 47.4 mm-40 -64.11 -49.78 70.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.955 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.451 ' HD2' HD22 ' A' ' 53' ' ' LEU . 8.9 t80 -50.97 121.93 6.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -87.52 11.15 15.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.903 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -117.87 -137.5 5.79 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.5 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 53' ' ' LEU . 5.0 t-20 -125.68 104.57 8.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.915 0.388 . . . . 0.0 110.881 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.451 HD22 ' HD2' ' A' ' 49' ' ' TYR . 4.1 mm? -34.6 -44.03 0.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -45.26 -48.75 12.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -65.2 -37.47 87.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.712 HD11 HG11 ' A' ' 62' ' ' VAL . 9.8 tp -64.52 165.15 10.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.4 ptmt -167.47 161.32 13.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.469 ' HA ' ' CG2' ' A' ' 23' ' ' ILE . 44.1 t -73.7 116.19 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.127 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 109.7 23.36 6.26 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.441 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -123.4 130.9 53.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.834 0.35 . . . . 0.0 110.867 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -59.1 139.57 56.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.712 HG11 HD11 ' A' ' 56' ' ' LEU . 1.2 m -150.72 142.63 16.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.674 ' HG3' HG22 ' A' ' 20' ' ' THR . 37.2 tt0 -99.87 138.8 36.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.697 ' CE1' HG21 ' A' ' 33' ' ' ILE . 9.1 p90 -148.06 176.83 9.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.653 ' O ' HG22 ' A' ' 78' ' ' VAL . 7.1 tt0 -120.83 112.72 19.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.474 ' CG2' ' HG3' ' A' ' 19' ' ' GLU . 90.1 t -69.18 120.79 17.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.408 ' O ' ' HA ' ' A' ' 75' ' ' PRO . 1.0 OUTLIER -132.89 -179.4 5.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 -179.871 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 63.6 m -111.3 133.94 53.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.831 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -70.54 169.7 13.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.821 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -106.39 -3.17 21.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 73.1 mmt-85 -112.5 -40.73 4.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 66.5 p -113.42 -19.99 11.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.084 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 66.7 14.87 63.48 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.525 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.7 mttt -83.03 154.41 67.29 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.58 0.705 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.477 ' O ' ' CD2' ' A' ' 42' ' ' LEU . 53.7 Cg_endo -69.77 99.42 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.674 2.249 . . . . 0.0 112.346 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 11.2 pt -109.56 167.26 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -96.72 146.66 24.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.07 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.653 HG22 ' O ' ' A' ' 65' ' ' GLU . 26.5 m -145.26 159.53 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.406 ' O ' ' NH2' ' A' ' 18' ' ' ARG . 20.7 mttt 46.65 51.43 12.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.838 HD11 ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -64.27 148.06 51.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 81' ' ' VAL . 27.6 m -157.34 121.49 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.177 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.703 ' HA ' HG12 ' A' ' 62' ' ' VAL . 17.4 tttm -58.33 129.91 44.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 7.3 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.109 179.912 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.8 mmm-85 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.746 0.308 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -105.79 155.03 19.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 26.8 p -117.88 141.08 48.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.158 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -146.4 -138.48 3.19 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.456 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.497 ' O ' HG13 ' A' ' 22' ' ' VAL . 2.0 p -154.52 123.16 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.781 0.325 . . . . 0.0 111.122 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.627 HD13 HG12 ' A' ' 33' ' ' ILE . 4.5 mm -53.33 93.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.09 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -67.15 -39.49 86.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.439 ' HE3' ' CG ' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -145.48 158.17 43.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.437 ' N ' ' HD2' ' A' ' 25' ' ' LYS . 6.2 tp -144.24 133.07 22.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.449 ' N ' HD12 ' A' ' 27' ' ' LEU . 2.8 mp -126.56 -173.63 2.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.53 -27.58 25.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.2 p -95.05 -23.65 17.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -176.53 -175.05 0.62 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.578 ' HA3' ' CE1' ' A' ' 44' ' ' PHE . . . -148.44 160.83 28.49 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.494 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -105.19 154.71 19.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.827 0.346 . . . . 0.0 110.881 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.816 HG21 ' CE1' ' A' ' 64' ' ' PHE . 43.5 mt -137.54 114.54 12.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -83.69 103.9 13.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.479 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 58.4 m -51.78 137.48 25.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 56.3 m -98.64 2.27 47.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -110.85 -41.39 4.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.848 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.479 ' HG2' ' CB ' ' A' ' 35' ' ' CYS . 10.2 ptm180 -101.25 -14.16 17.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 63.83 44.77 4.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -127.3 138.88 53.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.084 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.4 mtp180 -80.85 102.65 10.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.554 HD12 ' CE2' ' A' ' 64' ' ' PHE . 11.4 mt -85.45 172.59 10.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.499 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -128.35 106.25 8.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.714 ' HB3' HD12 ' A' ' 33' ' ' ILE . 2.2 p90 -102.18 138.14 39.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.866 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -89.82 138.89 31.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 4.1 m -50.77 -17.4 0.54 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.8 t -79.13 -31.82 44.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.407 ' CD ' ' HA ' ' A' ' 78' ' ' VAL . 46.9 mm-40 -59.34 -54.53 45.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.419 ' HD2' HD22 ' A' ' 53' ' ' LEU . 21.9 t80 -53.59 121.58 8.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -76.86 -41.04 45.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.69 -145.11 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.474 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 53' ' ' LEU . 48.6 t30 -116.64 110.9 19.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.827 0.346 . . . . 0.0 110.875 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 52' ' ' ASN . 4.1 mm? -35.22 -39.47 0.11 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -47.13 -49.06 22.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -63.11 -37.61 87.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.839 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.854 HD11 HG11 ' A' ' 62' ' ' VAL . 9.1 tp -65.98 147.09 53.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.44 ' HG2' ' C ' ' A' ' 56' ' ' LEU . 9.3 mtmt -148.21 164.71 33.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.422 HG13 ' O ' ' A' ' 23' ' ' ILE . 39.9 t -80.59 99.62 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 130.7 -1.39 5.57 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.464 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -95.11 157.91 15.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.813 0.339 . . . . 0.0 110.823 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.02 138.76 32.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.854 HG11 HD11 ' A' ' 56' ' ' LEU . 0.9 OUTLIER -152.08 142.48 15.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.077 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.464 ' HB3' HG23 ' A' ' 81' ' ' VAL . 9.9 tt0 -99.32 130.44 45.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.864 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.816 ' CE1' HG21 ' A' ' 33' ' ' ILE . 15.7 p90 -138.63 176.76 8.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -122.07 121.92 38.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.5 t -70.67 118.59 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.106 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.433 ' O ' ' HA ' ' A' ' 75' ' ' PRO . 0.3 OUTLIER -122.5 178.09 5.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.875 -179.878 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 28.2 p -126.97 128.22 46.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -65.66 172.21 3.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -107.67 -3.97 18.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.1 mtp180 -109.8 -38.45 5.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 16.6 p -118.08 -15.19 9.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.106 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 60.39 15.85 40.52 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.477 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 35.0 mmtm -77.34 152.3 81.39 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.596 0.712 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.433 ' HA ' ' O ' ' A' ' 67' ' ' SER . 53.9 Cg_endo -69.77 105.58 1.51 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.705 2.27 . . . . 0.0 112.365 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 20.6 pt -115.97 148.86 18.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -84.71 143.13 29.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.055 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.407 ' HA ' ' CD ' ' A' ' 48' ' ' GLN . 30.3 m -145.97 164.7 9.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.118 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 6.3 mmtp 46.83 48.19 15.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.807 HD11 ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -61.9 154.07 27.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.955 179.898 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.514 HG13 ' O ' ' A' ' 80' ' ' LEU . 5.2 m -158.47 126.05 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.762 ' HA ' HG12 ' A' ' 62' ' ' VAL . 25.4 tttp -65.09 124.08 21.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.938 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 5.2 mt . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 179.889 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.2 mmm-85 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.823 0.344 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -95.29 153.75 17.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.502 HG22 ' HG3' ' A' ' 63' ' ' GLU . 30.3 p -126.31 142.93 51.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.139 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -153.46 -131.41 1.59 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.492 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.46 ' CG1' ' HB3' ' A' ' 34' ' ' GLN . 9.4 p -151.79 149.05 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.813 0.339 . . . . 0.0 111.111 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.758 ' O ' HG13 ' A' ' 58' ' ' VAL . 3.4 mm -76.12 95.23 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -68.75 -47.02 67.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.457 ' HD3' ' N ' ' A' ' 26' ' ' LEU . 1.3 tmtt? -143.74 151.66 40.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.457 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 2.5 tp -140.74 138.51 34.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.487 ' N ' HD12 ' A' ' 27' ' ' LEU . 3.9 mp -126.15 -174.57 3.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.9 m -81.82 -18.5 43.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.202 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.7 t -105.33 -39.93 6.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -159.35 -175.41 5.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.951 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.493 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -154.16 161.81 30.23 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.503 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -106.14 147.29 29.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.861 0.363 . . . . 0.0 110.863 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.906 ' CD1' HD11 ' A' ' 80' ' ' LEU . 24.2 mt -125.63 115.52 43.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.112 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.46 ' HB3' ' CG1' ' A' ' 22' ' ' VAL . 2.0 tp-100 -73.42 109.41 6.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 72.1 m -64.42 132.18 49.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 68.3 m -96.53 3.78 52.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -107.58 -42.23 4.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.472 ' HB2' ' CZ ' ' A' ' 38' ' ' ARG . 3.3 ptm85 -105.33 -9.32 17.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 62.33 46.56 5.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -133.57 139.85 46.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.09 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.502 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 12.7 ptt85 -79.53 105.28 10.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.602 HD12 ' CE2' ' A' ' 64' ' ' PHE . 10.2 mt -82.55 170.97 14.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.519 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -126.36 103.94 7.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.617 ' HB3' HD12 ' A' ' 33' ' ' ILE . 1.8 p90 -99.43 139.69 34.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -93.77 141.46 28.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.478 ' HA ' HD21 ' A' ' 53' ' ' LEU . 17.3 p -50.08 -19.26 0.7 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 40.0 t -76.66 -33.44 58.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 49.0 mm-40 -61.63 -52.62 63.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.928 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -53.84 126.87 23.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.952 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -77.16 -46.63 22.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -60.66 -141.62 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.546 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -123.58 113.29 18.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.878 0.37 . . . . 0.0 110.848 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.478 HD21 ' HA ' ' A' ' 46' ' ' CYS . 3.4 mm? -39.13 -40.2 0.68 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.8 mm100 -46.62 -46.39 19.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.937 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -69.85 -37.43 76.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' A' ' 56' ' ' LEU . 10.2 tp -58.73 160.28 5.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.4 pttt -164.13 160.43 21.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.758 HG13 ' O ' ' A' ' 23' ' ' ILE . 90.1 t -76.08 128.13 37.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.145 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 105.09 16.7 15.84 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.505 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -121.61 139.33 53.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.834 0.35 . . . . 0.0 110.855 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.08 143.32 55.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.721 HG12 ' HA ' ' A' ' 82' ' ' LYS . 0.7 OUTLIER -152.35 144.24 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.502 ' HG3' HG22 ' A' ' 20' ' ' THR . 6.8 tt0 -101.02 136.97 40.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.861 ' CE1' HG21 ' A' ' 33' ' ' ILE . 14.6 p90 -148.82 176.74 10.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.916 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.664 ' O ' HG22 ' A' ' 78' ' ' VAL . 10.5 tt0 -122.42 121.57 36.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 86.5 t -72.66 124.03 28.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.15 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.9 t -133.54 177.32 7.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.858 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 71.2 m -109.82 132.63 53.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.871 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -68.27 171.59 6.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -108.5 3.26 22.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 73.4 mtm-85 -117.88 -40.73 2.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.925 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 19.9 p -118.01 -15.68 9.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.192 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 65.08 15.83 61.19 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.501 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.1 mmtp -78.11 152.64 79.52 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.578 0.704 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.428 ' O ' HD22 ' A' ' 42' ' ' LEU . 53.9 Cg_endo -69.78 101.12 0.88 Allowed 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.689 2.259 . . . . 0.0 112.33 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 10.0 pt -112.08 167.81 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -94.77 149.84 20.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.075 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.664 HG22 ' O ' ' A' ' 65' ' ' GLU . 27.1 m -149.24 158.48 6.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.159 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.6 mmtt 49.09 47.66 21.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.901 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.906 HD11 ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -61.01 153.49 25.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.917 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.462 ' O ' HG13 ' A' ' 81' ' ' VAL . 9.7 p -160.17 122.83 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.721 ' HA ' HG12 ' A' ' 62' ' ' VAL . 12.4 tttm -62.72 121.74 14.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.9 mt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.169 179.863 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 31.1 mmm-85 . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.774 0.321 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -97.21 151.47 19.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 34.2 p -117.84 141.42 48.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -148.57 -138.96 3.08 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.507 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.407 HG12 ' O ' ' A' ' 34' ' ' GLN . 7.4 p -150.99 139.24 14.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.79 0.329 . . . . 0.0 111.16 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.722 HD11 HG21 ' A' ' 62' ' ' VAL . 14.2 mm -66.23 90.5 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -63.42 -50.13 71.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.433 ' HD3' ' N ' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -142.2 155.42 45.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.943 179.906 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.433 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 2.5 tp -141.81 139.48 32.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.916 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.1 mp -126.81 -174.35 3.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.455 HG22 ' O ' ' A' ' 28' ' ' THR . 38.6 m -82.88 -13.12 56.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.099 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.9 m -111.42 -41.6 4.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -155.32 -175.01 5.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.587 ' O ' ' CD1' ' A' ' 44' ' ' PHE . . . -153.22 160.33 29.08 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.441 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -104.83 155.09 19.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.824 0.345 . . . . 0.0 110.904 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.794 ' CD1' HD11 ' A' ' 80' ' ' LEU . 33.2 mt -133.88 116.03 22.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.163 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.407 ' O ' HG12 ' A' ' 22' ' ' VAL . 5.5 tp60 -82.24 91.7 6.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.491 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 8.5 m -39.09 145.49 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.8 m -101.58 -8.38 21.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -104.63 -40.5 5.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.935 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.494 ' O ' ' NE2' ' A' ' 39' ' ' GLN . 11.2 ptm180 -104.94 6.62 33.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.494 ' NE2' ' O ' ' A' ' 38' ' ' ARG . 1.6 pp0? 37.02 49.29 0.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.942 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.417 ' HB3' ' CD ' ' A' ' 38' ' ' ARG . . . -124.67 135.92 53.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.07 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.9 mtt-85 -74.21 96.47 2.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.622 HD12 ' HE2' ' A' ' 64' ' ' PHE . 8.1 mt -83.2 170.11 15.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.468 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -128.05 111.33 13.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.922 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.711 ' HB3' HD12 ' A' ' 33' ' ' ILE . 2.1 p90 -107.24 141.3 38.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -94.46 141.92 28.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.848 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 12.8 p -53.61 -15.15 1.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.6 t -81.9 -29.18 32.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.818 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 58.4 mm-40 -64.04 -51.05 65.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.426 ' CE2' ' N ' ' A' ' 52' ' ' ASN . 16.3 t80 -53.76 123.43 12.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -76.4 -35.41 58.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.47 -136.73 0.12 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.485 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 53' ' ' LEU . 7.0 t-20 -129.97 110.51 11.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.822 0.344 . . . . 0.0 110.885 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 52' ' ' ASN . 2.6 mm? -34.16 -46.8 0.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 74.1 mm-40 -41.7 -49.26 4.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -65.05 -35.33 80.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.654 HD11 HG11 ' A' ' 62' ' ' VAL . 10.8 tp -69.3 162.24 27.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.1 pttt -162.7 162.85 27.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 25.2 t -74.53 122.31 27.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 104.72 21.71 8.96 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.482 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -121.75 144.84 48.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.826 0.346 . . . . 0.0 110.829 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.467 ' O ' HG13 ' A' ' 62' ' ' VAL . 1.3 m-20 -72.41 144.18 48.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.722 HG21 HD11 ' A' ' 23' ' ' ILE . 0.9 OUTLIER -157.18 142.47 8.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.129 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -97.29 138.21 35.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.653 ' HB3' HD12 ' A' ' 80' ' ' LEU . 4.7 p90 -148.46 176.78 10.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.565 ' O ' HG22 ' A' ' 78' ' ' VAL . 7.6 tp10 -122.66 119.16 29.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 80.3 t -72.56 119.15 18.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.119 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.1 t -131.68 177.78 7.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.6 t -109.86 138.81 45.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -75.97 167.12 22.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.855 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -103.19 -1.27 29.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -113.77 -40.64 3.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 56.4 p -114.66 -17.05 11.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.107 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 63.54 16.27 58.42 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.48 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 34.0 mttt -83.39 154.07 65.9 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.527 0.68 . . . . 0.0 110.934 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 99.33 0.74 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.665 2.243 . . . . 0.0 112.349 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 9.6 pt -110.27 164.75 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -92.48 144.29 25.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.565 HG22 ' O ' ' A' ' 65' ' ' GLU . 16.9 m -145.07 156.1 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.094 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.458 ' HE2' HG23 ' A' ' 78' ' ' VAL . 13.5 mtmm 52.69 50.55 17.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.794 HD11 ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -65.33 149.65 49.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.403 HG13 ' O ' ' A' ' 80' ' ' LEU . 30.0 m -156.79 130.51 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.661 ' HA ' HG12 ' A' ' 62' ' ' VAL . 6.5 tttm -65.44 132.86 50.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.0 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.16 179.807 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.445 ' NH2' ' O ' ' A' ' 79' ' ' LYS . 10.7 mmm180 . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.78 0.324 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -110.45 152.71 25.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.4 p -123.21 148.53 45.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -151.52 -131.46 1.77 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.459 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.4 p -156.93 130.82 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.787 0.327 . . . . 0.0 111.142 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 1.012 HD11 HG21 ' A' ' 62' ' ' VAL . 27.7 mm -61.19 92.71 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -71.19 -41.01 70.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.482 ' HD3' ' N ' ' A' ' 26' ' ' LEU . 7.3 tmtm? -144.44 152.97 41.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.482 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 3.6 tp -145.84 136.84 24.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.462 ' N ' HD12 ' A' ' 27' ' ' LEU . 2.6 mp -129.57 -174.72 3.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.915 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 92.8 m -77.81 -31.07 51.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.154 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -89.38 -43.81 10.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.872 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -161.97 -178.66 6.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.938 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.515 ' O ' ' CD1' ' A' ' 44' ' ' PHE . . . -144.4 166.12 27.31 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.492 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -109.3 148.92 30.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.819 0.342 . . . . 0.0 110.883 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.83 ' CD1' HD11 ' A' ' 80' ' ' LEU . 37.1 mt -126.59 117.13 47.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.185 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -85.76 91.5 8.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.504 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 13.9 m -42.32 145.42 0.39 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.7 m -103.83 -3.95 24.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -106.62 -41.27 5.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.916 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.509 ' O ' ' CG ' ' A' ' 39' ' ' GLN . 14.7 ptp180 -102.06 -2.9 28.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.509 ' CG ' ' O ' ' A' ' 38' ' ' ARG . 15.6 pt20 47.76 43.08 16.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.948 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.65 134.97 54.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 34.4 mtm180 -74.29 98.75 3.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.803 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.506 HD12 ' CE1' ' A' ' 64' ' ' PHE . 11.2 mt -85.5 161.77 19.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.495 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -122.19 110.26 15.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.911 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.623 ' HB3' HD12 ' A' ' 33' ' ' ILE . 2.5 p90 -104.82 140.33 38.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -94.13 141.18 28.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.454 ' HA ' HD21 ' A' ' 53' ' ' LEU . 6.6 p -51.66 -19.72 1.7 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 48.2 t -76.08 -33.11 59.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 58.8 mm-40 -61.02 -51.33 69.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.462 ' HD2' HD22 ' A' ' 53' ' ' LEU . 20.3 t80 -53.52 130.09 34.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -79.47 -46.11 18.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -63.35 -139.41 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.485 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' ' 53' ' ' LEU . 4.4 m120 -124.7 110.5 14.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.836 0.351 . . . . 0.0 110.899 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.462 HD22 ' HD2' ' A' ' 49' ' ' TYR . 4.1 mm? -34.25 -38.86 0.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.919 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 19.6 mm100 -45.89 -50.04 14.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -64.3 -37.5 87.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.754 HD11 HG11 ' A' ' 62' ' ' VAL . 10.9 tp -63.98 155.45 30.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.2 pttt -158.27 162.86 37.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.551 HG13 ' O ' ' A' ' 23' ' ' ILE . 52.9 t -75.32 129.13 37.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.12 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.7 19.89 18.68 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -120.14 154.72 34.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.813 0.339 . . . . 0.0 110.857 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -82.45 141.99 32.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.805 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 1.012 HG21 HD11 ' A' ' 23' ' ' ILE . 0.7 OUTLIER -153.67 143.02 14.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -99.59 133.97 43.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.781 ' CE2' HG21 ' A' ' 33' ' ' ILE . 25.5 p90 -143.0 174.49 10.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.67 ' O ' HG22 ' A' ' 78' ' ' VAL . 7.9 tp10 -121.01 119.58 32.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 98.3 t -72.68 126.43 33.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.17 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.1 t -134.14 176.55 8.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.834 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.4 p -114.13 107.86 16.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.868 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.431 ' HA ' ' NH2' ' A' ' 70' ' ' ARG . 28.7 t70 -49.23 168.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.854 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.431 ' NH2' ' HA ' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -105.72 -16.73 14.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.903 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 49.0 mmt-85 -94.89 -52.4 4.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 45.6 p -100.44 -21.52 15.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 66.3 16.68 65.19 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.7 mtmt -87.43 154.59 54.05 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.605 0.717 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.77 101.91 0.97 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.696 2.264 . . . . 0.0 112.316 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.0 pt -115.59 163.38 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.171 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -92.13 146.67 23.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.67 HG22 ' O ' ' A' ' 65' ' ' GLU . 10.4 m -143.06 161.59 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.445 ' O ' ' NH2' ' A' ' 18' ' ' ARG . 12.3 mtmm 46.4 50.06 12.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.859 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.83 HD11 ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -61.05 147.45 43.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.952 179.883 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 81' ' ' VAL . 20.2 m -155.12 120.54 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.165 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.66 ' HA ' HG12 ' A' ' 62' ' ' VAL . 14.3 tttt -59.64 131.35 50.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.5 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.137 179.859 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 37.9 mmm-85 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.801 0.334 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -103.38 154.81 19.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 53.5 p -122.68 139.99 53.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.108 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -149.44 -134.71 2.37 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.48 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.513 ' O ' ' N ' ' A' ' 34' ' ' GLN . 9.8 p -152.35 144.31 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.804 0.335 . . . . 0.0 111.123 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.837 HD13 HG12 ' A' ' 33' ' ' ILE . 9.9 mm -74.47 94.08 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.181 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -70.13 -44.08 69.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.606 ' HD2' HD11 ' A' ' 27' ' ' LEU . 8.2 tmtm? -141.29 150.73 42.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.477 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 2.5 tp -144.62 139.84 28.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.939 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.606 HD11 ' HD2' ' A' ' 25' ' ' LYS . 4.7 mp -133.92 -175.69 3.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.2 m -77.22 -28.67 53.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.6 m -91.07 -42.07 10.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.821 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -164.59 -176.56 4.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.936 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.583 ' O ' ' CD1' ' A' ' 44' ' ' PHE . . . -153.04 162.04 29.91 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.531 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -102.54 158.26 16.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.827 0.346 . . . . 0.0 110.887 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.903 HG21 ' CE1' ' A' ' 64' ' ' PHE . 46.2 mt -137.45 107.94 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.072 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.513 ' N ' ' O ' ' A' ' 22' ' ' VAL . 2.1 tp-100 -71.96 101.5 2.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.501 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 1.1 t -52.34 140.42 21.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 73.4 m -96.04 8.43 43.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -121.4 -40.46 2.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.612 ' CD ' ' HB3' ' A' ' 40' ' ' ALA . 5.9 ptm180 -102.44 -1.87 29.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 46.33 52.08 10.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.612 ' HB3' ' CD ' ' A' ' 38' ' ' ARG . . . -136.09 132.92 36.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.502 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 16.0 ptt85 -73.98 100.35 3.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.863 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.588 HD12 ' CE2' ' A' ' 64' ' ' PHE . 12.6 mt -81.1 167.87 19.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.48 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -120.78 104.61 10.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.583 ' CD1' ' O ' ' A' ' 31' ' ' GLY . 1.9 p90 -103.36 136.5 43.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.88 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -87.71 139.28 30.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 30.6 m -52.9 -15.77 0.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 40.5 t -78.89 -32.59 45.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.9 mm-40 -60.82 -53.09 61.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.926 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.431 ' HD2' HD22 ' A' ' 53' ' ' LEU . 13.9 t80 -50.44 124.78 11.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -78.74 -38.59 38.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.84 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -64.74 -138.56 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.505 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' ' 53' ' ' LEU . 3.6 p-10 -128.32 111.87 13.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.885 0.374 . . . . 0.0 110.886 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 52' ' ' ASN . 4.1 mm? -34.23 -42.78 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -44.52 -49.53 9.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -67.2 -37.27 83.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.818 HD11 HG11 ' A' ' 62' ' ' VAL . 11.0 tp -67.98 149.01 50.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.9 pttt -156.29 164.57 38.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.68 HG13 ' O ' ' A' ' 23' ' ' ILE . 85.4 t -75.23 118.86 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.106 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 110.51 19.83 7.69 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.512 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -122.14 139.76 53.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.783 0.325 . . . . 0.0 110.876 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -67.4 138.6 56.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.818 HG11 HD11 ' A' ' 56' ' ' LEU . 1.6 m -151.85 141.69 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.158 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.442 ' HB3' HG23 ' A' ' 81' ' ' VAL . 6.7 tt0 -98.84 132.24 44.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.903 ' CE1' HG21 ' A' ' 33' ' ' ILE . 20.0 p90 -141.92 176.78 8.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.837 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.437 ' O ' HG22 ' A' ' 78' ' ' VAL . 5.3 tp10 -122.27 127.69 50.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.863 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 90.8 t -80.4 115.9 23.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.13 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.8 m -127.6 178.98 5.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 41.7 p -112.39 135.89 52.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -71.25 168.98 16.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.846 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -99.57 2.5 44.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 32.6 mtp180 -117.16 -49.91 2.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.406 ' OG1' ' CG ' ' A' ' 74' ' ' LYS . 11.6 p -110.56 -12.33 14.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.168 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 60.86 10.68 20.44 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.482 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.406 ' CG ' ' OG1' ' A' ' 72' ' ' THR . 17.9 mmtp -68.09 152.08 96.73 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.574 0.702 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.427 ' O ' HD22 ' A' ' 42' ' ' LEU . 53.4 Cg_endo -69.76 100.21 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.663 2.242 . . . . 0.0 112.357 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 10.9 pt -112.51 165.47 7.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.189 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -92.31 148.55 22.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.437 HG22 ' O ' ' A' ' 65' ' ' GLU . 28.2 m -149.74 157.39 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.122 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.406 ' HE3' HG23 ' A' ' 78' ' ' VAL . 23.3 mtmt 51.36 47.05 25.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.843 HD11 ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -59.7 152.52 22.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.905 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.593 HG13 ' O ' ' A' ' 80' ' ' LEU . 13.5 m -161.35 120.73 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.11 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.665 ' HA ' HG12 ' A' ' 62' ' ' VAL . 22.1 tttt -60.14 128.19 35.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.5 mt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.917 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.7 mmm-85 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.758 0.313 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -103.03 154.35 19.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 39.3 p -120.52 142.49 49.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.161 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -151.05 -136.04 2.44 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.497 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.487 HG12 ' O ' ' A' ' 34' ' ' GLN . 9.9 p -151.47 146.02 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.76 0.314 . . . . 0.0 111.151 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.871 HD13 HG12 ' A' ' 33' ' ' ILE . 13.9 mm -79.0 95.92 2.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -71.38 -46.3 60.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.47 ' HD3' ' N ' ' A' ' 26' ' ' LEU . 0.5 OUTLIER -136.11 154.32 51.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.47 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 4.5 tp -146.13 136.15 23.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.944 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.401 HD12 ' N ' ' A' ' 27' ' ' LEU . 3.6 mp -127.65 -175.48 3.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.5 m -80.31 -25.78 39.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.119 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.0 t -96.0 -37.98 10.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -163.21 -176.32 4.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.556 ' O ' ' CD1' ' A' ' 44' ' ' PHE . . . -150.25 162.74 29.33 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.492 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -106.12 150.24 26.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.779 0.323 . . . . 0.0 110.886 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.872 HG21 ' CE1' ' A' ' 64' ' ' PHE . 30.4 mt -129.82 113.31 26.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.487 ' O ' HG12 ' A' ' 22' ' ' VAL . 0.7 OUTLIER -77.43 101.74 6.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 6.9 m -53.86 147.51 11.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.4 m -111.07 -4.7 14.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -104.03 -41.8 5.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -100.37 -10.67 20.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 59.47 49.03 9.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -137.18 136.14 37.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.113 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.2 mtm180 -74.21 104.67 5.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.565 HD12 ' HE2' ' A' ' 64' ' ' PHE . 10.3 mt -86.62 160.94 18.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.513 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -118.15 106.6 13.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 179.919 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.747 ' HB3' HD12 ' A' ' 33' ' ' ILE . 2.3 p90 -101.88 140.97 35.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -94.56 139.79 30.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 21.1 m -51.61 -20.95 2.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 40.2 t -75.29 -32.65 61.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.8 mm-40 -60.95 -53.34 58.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.936 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -52.0 120.22 5.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 -74.5 -38.17 62.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -63.81 -142.01 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.477 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.43 ' O ' ' C ' ' A' ' 53' ' ' LEU . 1.3 p-10 -125.2 112.96 17.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.828 0.347 . . . . 0.0 110.921 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' A' ' 52' ' ' ASN . 4.0 mm? -35.87 -38.67 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.957 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -47.78 -48.79 30.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.25 -35.09 75.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.889 HD11 HG11 ' A' ' 62' ' ' VAL . 10.4 tp -69.99 152.94 43.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.438 ' CG ' ' OD2' ' A' ' 60' ' ' ASP . 12.0 ptpt -157.75 176.7 12.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.574 HG13 ' O ' ' A' ' 23' ' ' ILE . 86.8 t -87.97 123.49 40.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.127 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 103.74 21.37 9.76 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.535 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.438 ' OD2' ' CG ' ' A' ' 57' ' ' LYS . 45.1 m-20 -121.7 145.92 47.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.833 0.349 . . . . 0.0 110.829 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.528 ' HB3' HD12 ' A' ' 83' ' ' ILE . 0.9 OUTLIER -71.54 137.27 47.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.889 HG11 HD11 ' A' ' 56' ' ' LEU . 1.6 m -151.34 141.84 15.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.435 ' HB3' HG23 ' A' ' 81' ' ' VAL . 5.9 tt0 -99.97 133.77 43.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.872 ' CE1' HG21 ' A' ' 33' ' ' ILE . 13.7 p90 -141.96 176.74 8.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.716 ' O ' HG22 ' A' ' 78' ' ' VAL . 2.8 tt0 -122.86 119.67 31.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 67.0 t -72.41 119.84 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.108 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' A' ' 75' ' ' PRO . 2.1 m -123.7 176.37 6.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 53.5 p -115.32 108.81 17.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -47.32 173.93 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.582 ' HE ' ' N ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -111.69 -12.88 13.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.941 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.3 mmt85 -98.61 -46.71 5.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 58.4 p -109.51 -16.22 14.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.186 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 64.0 15.79 58.77 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.0 mmtm -82.51 152.6 67.29 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.559 0.695 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.406 ' HA ' ' O ' ' A' ' 67' ' ' SER . 53.9 Cg_endo -69.73 107.89 1.95 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.667 2.245 . . . . 0.0 112.382 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 12.1 pt -119.89 166.34 14.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.198 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.56 150.42 21.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.716 HG22 ' O ' ' A' ' 65' ' ' GLU . 31.6 m -151.69 154.52 8.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 22.5 mttt 52.1 46.07 27.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.807 HD11 ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -57.91 152.28 16.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.939 179.928 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.435 HG23 ' HB3' ' A' ' 63' ' ' GLU . 0.1 OUTLIER -156.87 123.37 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.164 179.866 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.735 ' HA ' HG12 ' A' ' 62' ' ' VAL . 15.5 tttp -63.9 125.99 26.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.528 HD12 ' HB3' ' A' ' 61' ' ' ASP . 3.8 mt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.168 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.5 mmm-85 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.755 0.312 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -95.55 154.73 17.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 20.9 p -126.11 140.77 52.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -151.42 -130.27 1.64 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.491 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.9 p -153.14 143.33 14.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.782 0.325 . . . . 0.0 111.13 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.559 ' O ' HG13 ' A' ' 58' ' ' VAL . 4.1 mm -68.28 94.98 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.451 ' OE1' ' CB ' ' A' ' 34' ' ' GLN . 15.4 tp10 -68.02 -48.54 65.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -141.19 153.33 45.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.0 tp -143.04 138.5 30.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.983 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.8 mp -126.5 -175.01 3.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 55.9 m -80.63 -16.69 53.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.3 m -106.47 -39.3 5.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -162.39 -178.97 6.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.592 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -148.11 161.44 28.59 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.467 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.445 ' CE2' ' HB2' ' A' ' 43' ' ' PHE . 71.0 m-85 -107.02 146.17 31.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.786 0.327 . . . . 0.0 110.894 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.795 ' CD1' HD11 ' A' ' 80' ' ' LEU . 19.5 mt -123.06 119.77 58.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.123 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.451 ' CB ' ' OE1' ' A' ' 24' ' ' GLU . 2.5 tp60 -79.83 103.89 10.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.495 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 69.0 m -59.92 116.05 3.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.2 m -80.88 5.96 14.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -108.91 -45.15 3.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.926 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.643 ' HD3' ' HB3' ' A' ' 40' ' ' ALA . 7.2 ptm180 -98.4 -10.52 23.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.902 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 63.12 45.91 4.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.643 ' HB3' ' HD3' ' A' ' 38' ' ' ARG . . . -135.96 143.5 44.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.082 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.508 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 10.2 ptt85 -84.59 104.71 14.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.651 HD12 ' CE1' ' A' ' 64' ' ' PHE . 10.8 mt -83.71 172.15 12.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.544 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -127.02 106.17 9.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.875 179.897 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.592 ' CD2' ' O ' ' A' ' 31' ' ' GLY . 1.8 p90 -101.5 140.41 35.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -94.56 140.98 29.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.829 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.469 ' HA ' HD21 ' A' ' 53' ' ' LEU . 16.2 p -51.99 -19.08 1.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 35.0 t -78.08 -31.31 50.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -62.67 -50.41 71.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.931 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.487 ' HD2' HD22 ' A' ' 53' ' ' LEU . 11.6 t80 -55.1 127.6 29.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.932 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -77.76 -36.29 50.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -73.07 -142.56 0.53 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.46 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -122.21 118.95 29.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.798 0.332 . . . . 0.0 110.908 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.487 HD22 ' HD2' ' A' ' 49' ' ' TYR . 4.0 mm? -44.7 -33.31 1.8 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.936 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -52.53 -41.77 63.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -73.01 -36.11 66.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.644 HD11 HG11 ' A' ' 62' ' ' VAL . 11.2 tp -65.35 163.56 15.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.0 ptmm? -167.34 162.16 14.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.854 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.559 HG13 ' O ' ' A' ' 23' ' ' ILE . 42.9 t -76.51 118.35 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 114.48 16.69 7.47 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.495 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -122.41 147.64 46.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.823 0.344 . . . . 0.0 110.843 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.53 143.85 44.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.652 HG12 ' HA ' ' A' ' 82' ' ' LYS . 0.3 OUTLIER -154.44 142.92 13.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.656 ' HB3' HG23 ' A' ' 81' ' ' VAL . 6.6 tt0 -97.93 137.5 36.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.651 ' CE1' HD12 ' A' ' 42' ' ' LEU . 39.2 p90 -147.9 176.69 9.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.455 ' O ' HG22 ' A' ' 78' ' ' VAL . 7.6 tp10 -123.13 129.01 50.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 84.8 t -80.25 117.55 26.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.168 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.1 t -132.05 176.51 8.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.7 p -109.47 133.46 53.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -67.24 169.36 8.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -102.33 -0.11 33.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.856 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.4 mmm180 -117.65 -40.31 3.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 67.3 p -117.4 -9.84 10.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 54.95 19.76 16.46 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.479 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.2 mmmt -79.1 153.34 77.22 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.563 0.697 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.458 ' O ' HD22 ' A' ' 42' ' ' LEU . 54.2 Cg_endo -69.76 95.91 0.57 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.673 2.248 . . . . 0.0 112.37 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 9.4 pt -110.17 168.61 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -94.25 153.12 18.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' ' 65' ' ' GLU . 27.0 m -152.84 157.89 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.119 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.4 mmpt? 50.76 48.13 23.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.795 HD11 ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -60.7 157.25 15.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.878 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.735 HG13 ' O ' ' A' ' 80' ' ' LEU . 3.4 m -164.85 122.47 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.092 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.652 ' HA ' HG12 ' A' ' 62' ' ' VAL . 25.4 tttt -61.96 124.41 20.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.3 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 179.906 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -158.58 175.32 13.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.894 0.378 . . . . 0.0 110.882 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.2 p -115.32 171.01 7.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.817 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.79 158.51 7.83 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.484 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.3 m -119.11 82.37 1.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.928 0.394 . . . . 0.0 110.885 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.7 p 45.34 43.69 8.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.873 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 44.36 -114.49 1.05 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.488 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -152.77 83.76 0.16 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.455 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.533 ' HA ' ' C ' ' A' ' 10' ' ' PRO . 5.3 p90 -38.34 156.82 0.11 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.655 0.74 . . . . 0.0 110.902 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 9' ' ' TYR . 53.6 Cg_endo -69.77 150.35 90.03 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.698 -1.792 . . . . 0.0 112.371 -0.067 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -107.02 160.64 15.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 63.28 158.98 0.2 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.466 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 92.3 m -46.02 -56.84 5.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.832 0.348 . . . . 0.0 111.108 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 73.2 m -73.46 112.87 9.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.22 178.34 8.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.085 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -106.71 121.33 44.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.058 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.635 HD22 ' N ' ' A' ' 18' ' ' ARG . 1.5 tm? -104.15 123.7 47.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.635 ' N ' HD22 ' A' ' 17' ' ' LEU . 10.6 mmm180 -92.65 133.32 36.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.673 ' OE1' HG21 ' A' ' 66' ' ' VAL . 13.0 mt-10 -106.08 154.14 21.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.1 p -129.64 138.64 51.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.131 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -149.05 -124.59 1.35 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.494 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.8 p -158.01 151.28 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.848 0.356 . . . . 0.0 111.118 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.496 HD13 HG12 ' A' ' 33' ' ' ILE . 8.5 mm -78.81 93.2 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.145 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -69.18 -48.18 62.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.456 ' HD3' ' N ' ' A' ' 26' ' ' LEU . 6.6 tmtm? -135.62 152.07 50.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.456 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 2.6 tp -145.5 138.77 26.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.454 ' N ' HD12 ' A' ' 27' ' ' LEU . 3.1 mp -131.49 -177.41 4.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.958 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 88.2 m -76.54 -25.41 54.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 t -94.81 -40.64 9.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.833 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -165.54 -175.02 3.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.418 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -150.24 166.09 29.98 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.521 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.401 ' CD1' ' N ' ' A' ' 32' ' ' PHE . 6.4 m-85 -111.37 143.5 42.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.825 0.345 . . . . 0.0 110.905 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.944 ' CD1' HD11 ' A' ' 80' ' ' LEU . 21.9 mt -120.05 117.8 54.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -77.42 103.0 7.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.49 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 74.3 m -60.1 117.36 5.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.8 m -85.9 10.79 12.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -112.41 -42.32 3.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.49 ' HG2' ' CB ' ' A' ' 35' ' ' CYS . 3.1 ptm85 -102.62 -7.22 21.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 63.08 38.86 10.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -130.16 144.25 51.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.09 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.501 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 8.8 ptt85 -85.76 110.51 19.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.634 HD12 ' CE2' ' A' ' 64' ' ' PHE . 10.4 mt -88.9 166.76 13.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.544 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -123.25 103.78 8.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.583 ' HB3' HD12 ' A' ' 33' ' ' ILE . 2.3 p90 -98.74 139.48 34.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -92.95 141.8 28.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.83 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 14.0 p -49.11 -21.8 0.81 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.1 t -75.65 -33.02 60.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 42.0 mm-40 -58.87 -53.45 58.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.464 ' HD2' HD22 ' A' ' 53' ' ' LEU . 21.2 t80 -52.96 124.07 13.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -76.28 -41.73 47.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -66.63 -140.44 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.479 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 53' ' ' LEU . 1.4 p-10 -124.23 111.91 16.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.891 0.376 . . . . 0.0 110.86 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.464 HD22 ' HD2' ' A' ' 49' ' ' TYR . 4.1 mm? -36.87 -36.33 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.931 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.9 mm100 -46.55 -48.16 19.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -68.18 -38.08 81.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.687 HD11 HG11 ' A' ' 62' ' ' VAL . 10.7 tp -63.1 158.55 19.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.941 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -161.14 165.03 30.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.486 ' HA ' HG22 ' A' ' 23' ' ' ILE . 39.4 t -77.97 114.49 18.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 114.64 21.73 5.32 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.476 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -125.41 139.35 53.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.851 0.358 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -66.86 145.85 55.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.687 HG11 HD11 ' A' ' 56' ' ' LEU . 0.6 OUTLIER -154.81 142.39 12.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.092 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.561 ' HB3' HG23 ' A' ' 81' ' ' VAL . 6.6 tt0 -97.32 136.61 37.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.929 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.844 ' CE1' HG21 ' A' ' 33' ' ' ILE . 18.2 p90 -147.88 176.33 10.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.491 ' O ' HG22 ' A' ' 78' ' ' VAL . 7.5 tp10 -121.4 122.15 39.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.673 HG21 ' OE1' ' A' ' 19' ' ' GLU . 96.5 t -73.71 119.85 21.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.151 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.413 ' O ' ' HA ' ' A' ' 75' ' ' PRO . 1.7 m -127.4 176.97 7.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.82 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.9 m -117.53 119.76 36.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -58.06 174.7 0.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.836 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.588 ' HE ' ' N ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -112.23 -12.05 13.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.883 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.1 mtm105 -99.74 -37.9 8.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 18.4 p -118.54 -16.46 9.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.159 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 63.22 16.99 58.67 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.462 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.6 mmtp -83.27 152.0 63.83 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.581 0.705 . . . . 0.0 110.936 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.413 ' HA ' ' O ' ' A' ' 67' ' ' SER . 53.6 Cg_endo -69.78 102.59 1.05 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.724 2.283 . . . . 0.0 112.317 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.2 pt -116.3 158.19 16.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.116 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -86.47 153.64 21.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.054 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.491 HG22 ' O ' ' A' ' 65' ' ' GLU . 27.4 m -151.48 159.56 4.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.17 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? 47.05 48.26 15.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.944 HD11 ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -59.51 150.42 26.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.948 179.89 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.561 HG23 ' HB3' ' A' ' 63' ' ' GLU . 5.8 m -156.74 121.89 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.682 ' HA ' HG12 ' A' ' 62' ' ' VAL . 22.6 tttt -58.52 131.07 49.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.9 mt -69.97 -50.16 50.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.119 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 86.4 p -79.94 119.1 22.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 150.71 65.64 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.543 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 3.59 2.68 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.677 2.251 . . . . 0.0 112.311 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.4 m -56.02 142.51 35.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.7 t -56.77 175.18 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.816 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.506 179.978 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.9 t -125.59 128.18 47.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.897 0.379 . . . . 0.0 110.869 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.1 p -58.93 100.88 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.836 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.44 137.05 19.12 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.476 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.0 m -117.79 82.65 1.86 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.836 0.351 . . . . 0.0 110.886 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m -103.96 112.02 24.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 46.83 -104.98 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.437 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 100.66 61.32 0.8 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.534 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.525 ' HA ' ' C ' ' A' ' 10' ' ' PRO . 2.8 p90 -95.97 157.9 35.05 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.658 0.742 . . . . 0.0 110.976 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 9' ' ' TYR . 54.4 Cg_endo -69.75 142.9 72.21 Favored 'Cis proline' 0 C--N 1.341 0.176 0 C-N-CA 122.629 -1.821 . . . . 0.0 112.357 -0.109 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -47.94 118.19 2.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.835 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -150.05 -140.41 3.22 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.488 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 72.5 p -80.06 160.19 25.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.787 0.327 . . . . 0.0 111.168 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.1 m -50.37 172.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.831 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.27 -179.11 0.73 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.078 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -78.32 170.14 17.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.07 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.931 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -171.39 144.91 2.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.554 ' N ' HD22 ' A' ' 17' ' ' LEU . 28.8 mmm-85 -77.75 120.9 23.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.727 ' OE2' HD11 ' A' ' 17' ' ' LEU . 10.7 mm-40 -95.89 154.81 17.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.481 HG22 ' HG3' ' A' ' 63' ' ' GLU . 24.4 p -122.94 145.26 48.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.107 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -151.24 -133.63 2.06 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.493 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.8 p -154.08 136.92 7.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.818 0.342 . . . . 0.0 111.14 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.861 HD13 HG12 ' A' ' 33' ' ' ILE . 22.6 mm -68.8 92.68 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.144 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -69.61 -39.41 77.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.462 ' HD3' ' N ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -142.49 154.54 44.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.462 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 4.3 tp -147.77 136.2 21.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.407 ' N ' HD12 ' A' ' 27' ' ' LEU . 4.2 mp -127.53 -175.08 3.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 43.0 m -78.47 -28.5 46.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.185 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.4 m -92.8 -41.3 10.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -161.65 -176.22 5.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.93 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.513 ' O ' ' CD1' ' A' ' 44' ' ' PHE . . . -148.26 166.13 29.02 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.483 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -107.56 155.65 19.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.827 0.346 . . . . 0.0 110.873 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.887 HG21 ' CE1' ' A' ' 64' ' ' PHE . 27.6 mt -135.42 112.99 14.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.15 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -79.72 94.7 5.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.485 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 84.9 m -42.69 135.46 2.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.5 m -97.1 1.69 50.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.874 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -110.05 -41.31 4.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.485 ' HG2' ' CB ' ' A' ' 35' ' ' CYS . 9.4 ptm180 -103.72 -1.49 27.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.44 ' OE1' ' C ' ' A' ' 38' ' ' ARG . 3.2 mp0 51.12 47.86 24.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.959 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.402 ' HB3' ' CD ' ' A' ' 38' ' ' ARG . . . -127.68 144.67 51.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.078 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.6 mtt180 -84.25 100.28 11.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.585 HD12 ' HE2' ' A' ' 64' ' ' PHE . 8.4 mt -85.15 168.34 14.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.547 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -126.61 106.6 9.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.74 ' HB3' HD12 ' A' ' 33' ' ' ILE . 2.4 p90 -101.53 140.17 36.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -93.1 140.72 29.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 8.7 p -53.17 -15.67 0.97 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.906 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.7 m -80.77 -31.44 35.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 66.1 mm-40 -63.12 -49.67 73.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.494 ' HD2' HD22 ' A' ' 53' ' ' LEU . 14.1 t80 -52.61 127.77 23.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.951 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -82.84 -32.14 27.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.855 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.14 -133.8 0.16 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.46 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.485 ' N ' ' OD1' ' A' ' 52' ' ' ASN . 0.5 OUTLIER -131.91 110.59 10.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.895 0.379 . . . . 0.0 110.866 -179.909 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.494 HD22 ' HD2' ' A' ' 49' ' ' TYR . 4.1 mm? -39.49 -47.01 1.8 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.47 ' CG ' ' HB2' ' A' ' 52' ' ' ASN . 7.5 pt20 -43.66 -42.41 5.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -73.34 -34.88 65.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.457 HD11 HG11 ' A' ' 62' ' ' VAL . 11.1 tp -65.6 162.64 17.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.3 pttt -162.48 159.74 25.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.75 HG13 ' O ' ' A' ' 23' ' ' ILE . 99.7 t -74.75 120.25 23.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 112.79 16.4 8.63 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.488 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -120.5 141.29 50.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.825 0.345 . . . . 0.0 110.878 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.428 ' O ' HG13 ' A' ' 62' ' ' VAL . 1.8 m-20 -68.88 144.87 54.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.722 HG12 ' HA ' ' A' ' 82' ' ' LYS . 0.5 OUTLIER -156.03 142.25 10.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.481 ' HG3' HG22 ' A' ' 20' ' ' THR . 9.1 tt0 -97.72 136.71 37.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.887 ' CE1' HG21 ' A' ' 33' ' ' ILE . 13.6 p90 -148.27 176.66 10.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.859 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.59 ' O ' HG22 ' A' ' 78' ' ' VAL . 1.5 tt0 -121.44 121.55 37.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.463 HG22 HD11 ' A' ' 42' ' ' LEU . 86.8 t -73.17 123.17 27.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.107 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.7 t -133.66 178.89 6.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 73.6 m -114.8 134.73 54.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.812 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -70.42 176.57 3.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.839 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -108.75 -8.57 15.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.0 mtm180 -112.53 -27.35 8.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 45.5 p -126.26 -13.89 6.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.142 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 54.43 13.92 4.38 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.488 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.0 mmtp -75.57 152.86 85.47 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.568 0.699 . . . . 0.0 110.915 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.479 ' O ' HD22 ' A' ' 42' ' ' LEU . 53.7 Cg_endo -69.71 95.46 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.726 2.284 . . . . 0.0 112.326 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 10.2 pt -107.8 163.28 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.137 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -93.89 143.29 26.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.59 HG22 ' O ' ' A' ' 65' ' ' GLU . 30.2 m -142.23 166.84 15.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.081 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? 43.73 51.24 6.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.836 HD11 ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -64.73 153.07 40.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.922 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 81' ' ' VAL . 33.7 m -157.97 125.51 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.172 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.722 ' HA ' HG12 ' A' ' 62' ' ' VAL . 10.7 tttp -64.45 123.2 18.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.9 mt -62.6 -52.78 55.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.091 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 14.7 t -112.25 131.95 55.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.862 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 169.5 74.18 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.449 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 133.79 26.28 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.646 2.231 . . . . 0.0 112.317 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 58.8 p -102.9 137.01 41.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 89' ' ' GLY . 80.3 p -84.24 99.03 10.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.862 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 88' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.473 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.2 t -87.45 108.47 19.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.877 0.37 . . . . 0.0 110.893 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.0 m -158.13 166.23 32.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.863 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.35 -148.32 8.49 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.513 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -159.84 109.82 1.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.876 0.369 . . . . 0.0 110.834 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.7 m -51.1 141.21 14.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.882 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.24 51.26 4.75 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.448 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -58.87 -114.12 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.472 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.528 ' HA ' ' C ' ' A' ' 10' ' ' PRO . 31.8 p90 -105.95 153.74 39.93 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.692 0.758 . . . . 0.0 110.915 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 9' ' ' TYR . 53.7 Cg_endo -69.78 147.12 84.03 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.674 -1.802 . . . . 0.0 112.34 -0.045 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -106.31 106.37 16.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 118.51 173.79 15.99 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.473 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.0 m -86.1 -55.56 3.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.84 0.352 . . . . 0.0 111.144 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 27.4 t -76.44 125.7 29.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -132.55 157.81 43.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.073 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -108.94 173.06 6.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.137 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.85 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.8 OUTLIER -173.1 110.6 0.2 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.875 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.472 ' N ' HD22 ' A' ' 17' ' ' LEU . 23.7 mmm-85 -69.46 122.32 18.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.404 ' CD ' ' CD1' ' A' ' 17' ' ' LEU . 11.6 mm-40 -98.37 153.94 18.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.2 p -122.75 140.74 52.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.145 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -149.62 -132.12 2.02 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.482 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.41 ' O ' ' N ' ' A' ' 34' ' ' GLN . 2.7 p -154.31 141.0 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.865 0.364 . . . . 0.0 111.1 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.76 HD13 HG12 ' A' ' 33' ' ' ILE . 5.6 mm -70.62 93.53 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.168 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -67.45 -43.6 80.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.519 ' HD2' HD11 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -140.41 154.79 46.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.909 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.483 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 3.5 tp -146.63 138.15 24.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.944 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.519 HD11 ' HD2' ' A' ' 25' ' ' LYS . 4.8 mp -132.92 -177.56 4.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 46.2 m -76.44 -28.64 56.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.158 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.1 m -90.42 -42.54 10.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.845 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -162.74 -175.55 4.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.875 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.572 ' O ' ' CD1' ' A' ' 44' ' ' PHE . . . -149.45 162.87 29.15 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.505 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -105.91 159.99 15.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.837 0.351 . . . . 0.0 110.888 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.786 ' CD1' HD11 ' A' ' 80' ' ' LEU . 25.0 mt -139.18 113.42 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.153 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.41 ' N ' ' O ' ' A' ' 22' ' ' VAL . 1.2 tp-100 -79.47 99.94 7.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.486 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 29.0 m -46.7 136.06 8.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.5 m -98.67 6.0 47.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -115.27 -38.05 3.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.486 ' HG2' ' CB ' ' A' ' 35' ' ' CYS . 12.4 ptm180 -105.35 -12.15 16.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 62.72 44.49 6.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.402 ' HB3' ' CD ' ' A' ' 38' ' ' ARG . . . -126.26 140.89 52.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.092 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 23.6 mtm180 -81.44 102.72 10.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.533 HD12 ' CE2' ' A' ' 64' ' ' PHE . 9.5 mt -86.28 170.6 11.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.928 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.5 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -127.45 106.39 9.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.745 ' HB3' HD12 ' A' ' 33' ' ' ILE . 2.4 p90 -101.57 140.78 35.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -93.8 138.57 31.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.2 t -51.42 -17.62 0.82 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.874 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.2 t -78.17 -32.54 50.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 51.9 mm-40 -62.92 -50.07 72.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.433 ' CD2' HD22 ' A' ' 53' ' ' LEU . 17.1 t80 -50.6 130.06 23.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.938 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -78.52 -42.12 30.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.28 -151.86 1.4 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.463 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.432 ' O ' ' C ' ' A' ' 53' ' ' LEU . 12.1 t-20 -112.91 113.78 26.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.862 0.363 . . . . 0.0 110.88 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.433 HD22 ' CD2' ' A' ' 49' ' ' TYR . 1.3 mm? -35.06 -35.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.883 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.429 ' N ' ' O ' ' A' ' 52' ' ' ASN . 30.0 mm-40 -45.46 -49.83 13.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -68.87 -38.95 80.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.784 HD11 HG11 ' A' ' 62' ' ' VAL . 10.8 tp -66.26 150.54 48.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -154.63 174.08 15.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.928 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.525 HG13 ' O ' ' A' ' 23' ' ' ILE . 42.6 t -83.65 105.95 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.109 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 123.16 19.04 2.99 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.487 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -120.9 132.3 54.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.781 0.324 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.04 140.13 57.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.784 HG11 HD11 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -150.06 151.91 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.102 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.538 ' HB3' HG23 ' A' ' 81' ' ' VAL . 8.5 tt0 -107.97 136.51 47.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.763 ' CE1' HG21 ' A' ' 33' ' ' ILE . 21.6 p90 -148.37 176.77 10.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.485 ' O ' HG22 ' A' ' 78' ' ' VAL . 2.7 tt0 -124.17 123.44 40.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 87.6 t -73.33 117.79 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.8 m -127.53 170.22 12.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -103.14 128.69 50.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -65.32 173.47 2.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.871 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -109.99 1.22 18.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 42.9 mmm-85 -120.16 -47.45 2.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 67.3 p -105.1 -14.5 15.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.187 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 60.69 17.39 49.16 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.45 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 45.3 mmtt -85.05 152.53 58.92 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.606 0.717 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.513 ' O ' HD22 ' A' ' 42' ' ' LEU . 53.8 Cg_endo -69.72 97.48 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.714 2.276 . . . . 0.0 112.319 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 8.8 pt -105.71 166.53 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.183 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -94.78 145.06 25.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.158 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.485 HG22 ' O ' ' A' ' 65' ' ' GLU . 30.1 m -144.64 162.96 13.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 35.5 mmtt 44.5 51.38 7.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.912 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.786 HD11 ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -64.57 151.3 44.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.975 179.899 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.607 HG13 ' O ' ' A' ' 80' ' ' LEU . 5.5 m -160.99 117.79 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.14 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.736 ' HA ' HG12 ' A' ' 62' ' ' VAL . 17.4 tttm -56.2 128.65 36.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.7 mt -64.06 -62.14 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.3 t -57.28 171.44 0.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.809 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 147.88 70.89 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.481 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 105.61 1.52 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.654 2.236 . . . . 0.0 112.377 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 78.3 p -84.39 170.24 13.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.877 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 89' ' ' GLY . 7.0 t -111.71 161.91 15.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.833 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 88' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.516 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 t -98.15 148.31 23.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.854 0.359 . . . . 0.0 110.871 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.3 p -100.0 118.4 36.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.865 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.93 114.42 5.0 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.442 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -83.26 41.49 0.77 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.881 0.372 . . . . 0.0 110.833 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.9 m -135.27 169.15 17.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.4 156.63 18.54 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.489 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 166.21 133.07 1.46 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.511 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.515 ' HA ' ' C ' ' A' ' 10' ' ' PRO . 14.2 m-85 -147.35 159.71 41.23 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.673 0.749 . . . . 0.0 110.955 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.515 ' C ' ' HA ' ' A' ' 9' ' ' TYR . 54.5 Cg_endo -69.7 165.92 75.25 Favored 'Cis proline' 0 C--N 1.341 0.162 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.355 -0.148 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -41.61 138.9 1.26 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -154.01 135.04 4.58 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.458 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.6 p -61.59 136.25 57.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.801 0.334 . . . . 0.0 111.153 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.1 t -113.27 44.42 1.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.845 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -96.46 158.35 15.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.117 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.51 ' HB3' ' CD ' ' A' ' 65' ' ' GLU . . . -120.24 171.95 8.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.049 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.692 HD22 ' N ' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -75.48 118.11 17.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.692 ' N ' HD22 ' A' ' 17' ' ' LEU . 32.2 mmm-85 -72.4 127.87 33.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.45 ' HG2' ' CD1' ' A' ' 17' ' ' LEU . 11.3 mt-10 -108.36 154.13 22.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.9 p -124.24 151.92 43.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -155.32 -125.98 0.97 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.41 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.2 p -158.75 133.44 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.817 0.341 . . . . 0.0 111.135 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.973 HD11 HG21 ' A' ' 62' ' ' VAL . 26.0 mm -64.39 91.63 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.115 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.3 tp10 -67.15 -38.58 85.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.453 ' HD3' ' N ' ' A' ' 26' ' ' LEU . 5.0 tmtm? -146.52 153.66 40.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.453 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 2.9 tt -147.99 136.94 21.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.421 ' N ' HD12 ' A' ' 27' ' ' LEU . 3.7 mp -128.98 -177.3 4.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 83.8 m -79.46 -19.3 50.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.176 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.7 t -102.72 -41.81 6.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -158.15 -175.55 5.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.966 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.52 ' HA3' ' CE1' ' A' ' 44' ' ' PHE . . . -154.21 167.23 32.31 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.426 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -113.25 156.41 23.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.805 0.336 . . . . 0.0 110.893 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.79 ' CD1' HD11 ' A' ' 80' ' ' LEU . 33.8 mt -136.63 116.18 16.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.137 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -80.46 95.59 6.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.947 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.475 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 74.0 m -42.97 130.24 4.35 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.934 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.6 m -95.19 10.24 36.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -116.99 -36.05 3.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.475 ' HG2' ' CB ' ' A' ' 35' ' ' CYS . 14.2 ptm180 -110.99 -6.62 14.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 59.84 40.59 19.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.425 ' HB3' ' CD ' ' A' ' 38' ' ' ARG . . . -121.26 141.62 50.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.069 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.487 ' HB2' ' CZ ' ' A' ' 41' ' ' ARG . 14.0 mtm105 -82.99 101.91 11.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.617 HD12 ' CE1' ' A' ' 64' ' ' PHE . 8.9 mt -85.21 171.17 12.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.483 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -127.96 108.08 10.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.903 179.92 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.562 ' HB3' HD12 ' A' ' 33' ' ' ILE . 2.5 p90 -103.6 140.92 36.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -96.49 141.81 29.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.4 p -50.99 -20.04 1.23 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.831 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.7 t -74.74 -34.51 62.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -61.92 -49.82 74.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.601 ' HD2' HD22 ' A' ' 53' ' ' LEU . 13.2 t80 -51.96 134.44 31.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -85.37 -38.07 19.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.852 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -74.68 -147.87 1.49 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.49 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 41.5 t-20 -113.97 118.63 34.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.88 0.372 . . . . 0.0 110.927 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.601 HD22 ' HD2' ' A' ' 49' ' ' TYR . 3.2 mm? -47.12 -36.61 8.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -47.88 -40.92 23.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.96 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -76.77 -35.7 57.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.439 HD12 ' HD2' ' A' ' 82' ' ' LYS . 10.1 tp -62.14 144.58 55.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.939 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.3 pttp -150.02 151.39 33.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.749 HG13 ' O ' ' A' ' 23' ' ' ILE . 80.8 t -63.05 129.46 26.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.121 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.77 16.28 26.69 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.481 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -113.16 142.15 46.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.785 0.326 . . . . 0.0 110.868 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.77 135.76 43.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.973 HG21 HD11 ' A' ' 23' ' ' ILE . 1.6 m -146.72 164.92 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.172 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.514 ' HB3' HG23 ' A' ' 81' ' ' VAL . 66.1 tt0 -120.63 135.17 55.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.617 ' CE1' HD12 ' A' ' 42' ' ' LEU . 44.9 p90 -144.48 176.61 9.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.863 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.547 ' O ' HG22 ' A' ' 78' ' ' VAL . 3.8 tt0 -124.72 118.75 27.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.405 HG22 HD11 ' A' ' 42' ' ' LEU . 66.1 t -69.41 116.17 9.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' A' ' 75' ' ' PRO . 2.0 m -126.75 175.81 7.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.0 p -108.25 128.7 54.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.843 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -66.48 165.61 14.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.864 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -103.0 0.73 32.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -119.88 -38.25 2.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 22.2 p -115.93 -12.67 11.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.183 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 59.13 9.2 7.29 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.498 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.2 mmtt -76.37 152.61 83.77 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.582 0.706 . . . . 0.0 110.898 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.512 ' O ' HD22 ' A' ' 42' ' ' LEU . 53.9 Cg_endo -69.78 99.87 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.701 2.267 . . . . 0.0 112.35 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 10.7 pt -110.64 163.37 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.153 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -91.44 146.75 23.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.547 HG22 ' O ' ' A' ' 65' ' ' GLU . 28.0 m -146.08 161.9 10.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.2 mmtt 45.44 51.76 9.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.79 HD11 ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -64.38 156.16 30.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.88 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.664 HG13 ' O ' ' A' ' 80' ' ' LEU . 12.5 m -163.4 119.76 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.149 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.846 ' HA ' HG12 ' A' ' 62' ' ' VAL . 10.6 tttt -59.24 125.65 24.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.4 mt -61.74 -63.79 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.9 m -103.55 164.43 11.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 159.69 135.24 1.81 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.47 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 154.57 67.62 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.741 2.294 . . . . 0.0 112.358 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 51.3 p -134.36 40.86 2.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.839 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 27.3 p -130.62 165.27 23.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.832 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.488 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.2 p -83.33 139.99 32.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.902 0.382 . . . . 0.0 110.85 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 4' ' ' GLY . 77.3 p -133.39 115.07 14.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 3' ' ' SER . . . -37.87 -90.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.46 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.1 p -169.82 125.9 0.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.911 0.386 . . . . 0.0 110.837 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.4 t -131.98 95.77 3.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.86 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.77 -154.13 49.63 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.513 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.547 ' O ' ' CD2' ' A' ' 9' ' ' TYR . . . 142.22 120.54 1.59 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.475 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.554 ' HA ' ' C ' ' A' ' 10' ' ' PRO . 33.1 m-85 -170.05 149.17 3.27 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.626 0.727 . . . . 0.0 110.938 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.554 ' C ' ' HA ' ' A' ' 9' ' ' TYR . 53.1 Cg_endo -69.78 147.33 84.48 Favored 'Cis proline' 0 C--N 1.341 0.141 0 C-N-CA 122.746 -1.773 . . . . 0.0 112.289 0.027 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 63.9 t-20 -94.54 117.19 29.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 123.99 107.16 1.76 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.486 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 69.1 p -141.58 142.32 33.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.763 0.316 . . . . 0.0 111.155 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.8 t -144.13 158.0 43.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.834 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -126.95 162.66 25.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.117 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.669 ' HB1' ' OE1' ' A' ' 65' ' ' GLU . . . -81.98 124.22 29.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.071 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.66 HD13 ' O ' ' A' ' 17' ' ' LEU . 1.3 tm? -102.09 104.43 15.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.1 mmm-85 -72.39 127.39 32.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.527 ' CD ' ' CD1' ' A' ' 17' ' ' LEU . 8.1 mm-40 -104.33 154.18 20.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.931 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.5 p -120.27 145.52 46.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -152.3 -137.66 2.61 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.469 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.5 p -150.52 141.0 16.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.803 0.335 . . . . 0.0 111.093 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.874 HD11 HG21 ' A' ' 62' ' ' VAL . 10.9 mm -71.39 95.01 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.097 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -70.45 -46.94 62.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.844 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.57 ' HD2' HD11 ' A' ' 27' ' ' LEU . 7.2 tmtm? -138.38 154.15 48.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.49 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 3.3 tp -146.88 138.27 24.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.925 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.57 HD11 ' HD2' ' A' ' 25' ' ' LYS . 4.5 mp -131.43 -174.87 3.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.3 m -78.91 -28.41 43.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.2 m -92.14 -40.23 11.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -164.21 -175.14 3.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.902 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.531 ' O ' ' CD1' ' A' ' 44' ' ' PHE . . . -151.4 165.32 30.41 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.49 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -108.16 156.91 18.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.863 0.363 . . . . 0.0 110.854 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.82 ' CD1' HD11 ' A' ' 80' ' ' LEU . 37.7 mt -134.89 114.62 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -80.39 93.37 5.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.493 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 68.0 m -43.74 142.1 1.36 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 45.2 m -100.27 -0.54 38.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -108.21 -42.79 4.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.827 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.505 ' O ' ' CG ' ' A' ' 39' ' ' GLN . 9.9 ptm180 -101.75 -0.28 34.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.505 ' CG ' ' O ' ' A' ' 38' ' ' ARG . 11.1 pt20 47.88 43.11 17.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.49 ' HB3' ' NE ' ' A' ' 38' ' ' ARG . . . -123.39 140.51 52.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 27.2 mtp180 -79.27 99.81 7.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.567 HD12 ' CE2' ' A' ' 64' ' ' PHE . 8.7 mt -83.09 169.71 15.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.489 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -127.56 108.74 11.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.614 ' HB3' HD12 ' A' ' 33' ' ' ILE . 2.2 p90 -104.26 140.96 37.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -93.81 139.99 30.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.406 ' HA ' HD21 ' A' ' 53' ' ' LEU . 1.4 p -52.26 -16.29 0.8 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.845 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.9 t -80.19 -31.29 38.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.817 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 57.1 mm-40 -62.31 -50.29 72.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.928 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.439 ' HD2' HD22 ' A' ' 53' ' ' LEU . 12.5 t80 -51.6 127.0 19.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -78.5 -34.11 47.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.915 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -76.55 -140.4 1.06 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.527 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' ' 53' ' ' LEU . 3.7 t-20 -123.5 111.49 16.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.847 0.356 . . . . 0.0 110.877 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 52' ' ' ASN . 3.8 mm? -34.03 -46.24 0.23 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 52.5 mm-40 -42.05 -49.3 4.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -63.93 -35.07 79.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.839 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.601 HD11 HG11 ' A' ' 62' ' ' VAL . 10.4 tp -71.81 159.7 33.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.965 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.7 pttm -159.16 164.26 35.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.417 HG13 ' O ' ' A' ' 23' ' ' ILE . 38.4 t -75.2 127.69 36.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.201 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.3 20.18 16.42 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.51 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -118.8 151.95 37.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.833 0.349 . . . . 0.0 110.858 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.4 ' O ' HG13 ' A' ' 62' ' ' VAL . 1.1 m-20 -80.04 142.87 34.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.874 HG21 HD11 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -155.17 142.48 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.138 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -99.04 128.94 45.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.71 ' CE1' HG21 ' A' ' 33' ' ' ILE . 14.9 p90 -138.55 176.76 8.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.669 ' OE1' ' HB1' ' A' ' 16' ' ' ALA . 2.2 tt0 -123.47 118.75 28.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.413 HG22 HD11 ' A' ' 42' ' ' LEU . 64.8 t -71.21 122.43 23.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.9 t -131.67 172.69 11.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 72.4 m -105.59 130.96 53.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -67.06 165.56 15.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -104.91 1.36 28.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.1 mmp_? -117.49 -41.54 2.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 63.2 p -115.22 -12.72 11.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.164 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 61.34 15.28 44.72 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.461 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.9 mmtt -81.11 152.92 71.78 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.617 0.723 . . . . 0.0 110.872 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 103.01 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.676 2.251 . . . . 0.0 112.375 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 10.6 pt -115.67 159.37 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.12 145.1 25.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.472 HG22 ' O ' ' A' ' 65' ' ' GLU . 28.1 m -144.87 161.49 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.124 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? 47.77 49.92 16.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.82 HD11 ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -62.65 155.13 27.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.592 HG13 ' O ' ' A' ' 80' ' ' LEU . 0.7 OUTLIER -161.47 128.55 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.098 179.882 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.66 ' HA ' HG12 ' A' ' 62' ' ' VAL . 13.9 tttt -66.68 129.64 40.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.877 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.6 mt -68.24 -59.77 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.16 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.6 t -101.0 136.34 41.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.811 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -165.04 112.49 0.51 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.48 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 159.95 51.46 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.665 2.243 . . . . 0.0 112.301 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 65.4 p -126.48 175.25 8.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.1 t -143.0 116.7 9.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.845 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.453 -179.993 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.0 m -93.5 136.44 33.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.892 0.377 . . . . 0.0 110.873 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.1 m -138.7 115.99 11.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.837 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.1 42.65 1.84 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.466 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.4 t -107.91 90.81 3.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.872 0.368 . . . . 0.0 110.894 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 100.0 p -123.67 115.58 21.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.88 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.7 -96.1 0.19 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.525 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 111.85 128.98 5.26 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.493 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.542 ' HA ' ' C ' ' A' ' 10' ' ' PRO . 4.0 p90 -62.5 151.33 83.5 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.66 0.743 . . . . 0.0 110.911 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 9' ' ' TYR . 53.8 Cg_endo -69.77 143.64 74.42 Favored 'Cis proline' 0 C--N 1.342 0.186 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.341 -0.048 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 -59.59 142.76 52.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.956 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 13' ' ' THR . . . 131.7 -81.24 0.33 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.48 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 12' ' ' GLY . 19.6 m -35.44 139.81 0.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.806 0.336 . . . . 0.0 111.154 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 27.7 p -111.3 -177.73 3.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.848 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -44.54 167.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.074 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.56 160.66 31.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.101 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.795 HD11 ' OE1' ' A' ' 19' ' ' GLU . 1.2 tm? -115.6 127.4 55.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.777 ' N ' HD22 ' A' ' 17' ' ' LEU . 11.9 mmm180 -86.93 131.92 33.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.795 ' OE1' HD11 ' A' ' 17' ' ' LEU . 5.4 mm-40 -111.17 154.22 24.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 24.8 p -124.6 144.61 50.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -148.75 -138.5 3.0 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.514 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.494 ' O ' HG13 ' A' ' 22' ' ' VAL . 6.1 p -152.23 124.88 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.76 0.314 . . . . 0.0 111.113 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.666 HD13 HG12 ' A' ' 33' ' ' ILE . 16.6 mm -56.12 92.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -69.41 -39.93 77.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.442 ' HD2' HD11 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -143.08 154.7 44.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.7 tp -146.1 136.87 24.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.442 HD11 ' HD2' ' A' ' 25' ' ' LYS . 5.0 mp -127.87 -175.87 3.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.921 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.434 HG22 ' O ' ' A' ' 28' ' ' THR . 88.8 m -82.56 -12.92 57.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.4 t -109.44 -37.86 5.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.828 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -161.34 -179.49 7.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.58 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -147.41 158.78 27.83 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.539 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -105.03 146.83 28.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.82 0.343 . . . . 0.0 110.864 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.834 HG21 ' CE1' ' A' ' 64' ' ' PHE . 22.8 mt -126.17 111.82 27.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.94 101.52 7.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.7 m -48.97 137.51 12.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -103.31 6.16 37.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 -179.706 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -116.79 -42.03 3.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.848 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.487 ' HB2' ' CZ ' ' A' ' 38' ' ' ARG . 0.4 OUTLIER -99.91 -13.53 19.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 -179.912 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 63.92 46.98 3.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -131.66 133.84 45.33 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.5 mtt180 -74.39 104.87 5.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.605 HD12 ' HE2' ' A' ' 64' ' ' PHE . 8.6 mt -87.44 166.0 15.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.548 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -124.43 107.28 10.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.789 ' HB3' HD12 ' A' ' 33' ' ' ILE . 2.0 p90 -103.5 141.55 35.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -95.76 142.36 28.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 62.8 m -54.03 -14.87 1.17 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 45.1 t -81.48 -31.07 33.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.801 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 48.6 mm-40 -63.74 -49.63 72.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.442 ' CD2' HD22 ' A' ' 53' ' ' LEU . 21.2 t80 -52.0 129.92 28.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -81.28 -40.98 22.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.29 -141.71 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.439 ' O ' ' C ' ' A' ' 53' ' ' LEU . 1.8 p-10 -122.07 109.68 14.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.35 . . . . 0.0 110.905 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.442 HD22 ' CD2' ' A' ' 49' ' ' TYR . 2.7 mm? -34.38 -42.94 0.15 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -42.91 -49.92 5.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -66.63 -36.88 83.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.719 HD11 HG11 ' A' ' 62' ' ' VAL . 10.2 tp -68.58 144.04 54.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.415 ' HD2' ' CG ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -144.02 169.34 18.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.836 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.58 HG13 ' O ' ' A' ' 23' ' ' ILE . 78.2 t -80.61 115.73 23.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.099 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 115.28 15.91 7.45 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.502 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.415 ' CG ' ' HD2' ' A' ' 57' ' ' LYS . 29.6 m-20 -116.73 145.19 43.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.787 0.327 . . . . 0.0 110.881 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.69 141.28 48.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.751 HG12 ' HA ' ' A' ' 82' ' ' LYS . 0.8 OUTLIER -151.96 146.39 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.129 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -102.75 136.17 43.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.834 ' CE1' HG21 ' A' ' 33' ' ' ILE . 4.7 p90 -146.08 176.72 9.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.609 ' O ' HG22 ' A' ' 78' ' ' VAL . 4.6 tt0 -121.62 115.28 22.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.856 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.497 HG22 HD11 ' A' ' 42' ' ' LEU . 48.6 t -69.74 120.57 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.133 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.5 t -128.6 178.62 6.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.852 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -109.97 126.38 53.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -60.35 163.5 5.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.829 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -99.4 0.69 43.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 20.0 mmt-85 -116.37 -58.18 2.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 34.4 p -99.18 -8.82 24.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 58.97 15.83 29.96 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -78.49 152.32 78.24 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.54 0.686 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 102.25 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.671 2.247 . . . . 0.0 112.337 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 8.1 pt -113.4 161.58 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -91.24 143.36 26.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.609 HG22 ' O ' ' A' ' 65' ' ' GLU . 30.6 m -143.7 163.12 15.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.119 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 39.0 mmtt 45.64 49.1 11.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.83 HD11 ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -62.79 151.72 37.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.479 ' O ' HG13 ' A' ' 81' ' ' VAL . 11.2 p -159.75 123.94 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.073 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.751 ' HA ' HG12 ' A' ' 62' ' ' VAL . 13.4 tttt -59.9 129.36 41.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.7 mt -66.34 -62.8 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.111 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.2 t -92.38 118.38 30.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 151.95 92.87 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.458 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 147.63 63.44 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.659 2.239 . . . . 0.0 112.361 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 25.0 t -99.79 96.61 7.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.834 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.3 t -58.92 87.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.831 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.537 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m 47.88 29.02 1.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.912 0.387 . . . . 0.0 110.853 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.0 m -81.98 -48.38 11.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.16 147.83 5.82 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.481 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.8 p -131.37 89.37 2.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.895 0.379 . . . . 0.0 110.873 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.9 t -130.82 131.1 44.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.36 171.37 37.35 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.515 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -115.71 124.6 6.34 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.501 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.521 ' HA ' ' C ' ' A' ' 10' ' ' PRO . 35.2 m-85 -132.7 154.04 81.32 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.638 0.732 . . . . 0.0 110.933 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 9' ' ' TYR . 54.0 Cg_endo -69.77 -176.34 12.48 Favored 'Cis proline' 0 C--N 1.341 0.167 0 C-N-CA 122.643 -1.815 . . . . 0.0 112.37 -0.055 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -132.43 128.56 37.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 161.14 -118.39 0.82 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.518 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 49.2 p -92.42 100.17 12.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.795 0.331 . . . . 0.0 111.122 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 77.9 p -128.19 100.48 5.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -166.33 140.89 4.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.129 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -140.58 126.51 19.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.138 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.842 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -110.7 103.24 11.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.479 ' N ' HD22 ' A' ' 17' ' ' LEU . 32.0 mmm-85 -70.31 129.96 40.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.505 ' CD ' HD11 ' A' ' 17' ' ' LEU . 6.1 mm-40 -105.55 154.9 19.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 18.3 p -125.33 147.84 48.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.121 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -153.93 -135.5 2.12 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.497 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.6 p -151.41 131.81 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.801 0.334 . . . . 0.0 111.124 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.723 ' O ' HG13 ' A' ' 58' ' ' VAL . 5.9 mm -61.2 94.32 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -68.69 -40.7 79.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.468 ' HD3' ' N ' ' A' ' 26' ' ' LEU . 1.8 tmtt? -147.58 153.44 39.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.468 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 3.3 tp -143.19 138.15 29.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.411 ' HG ' ' NZ ' ' A' ' 25' ' ' LYS . 4.3 mp -130.14 -175.79 3.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 48.8 m -79.0 -25.3 43.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -94.65 -41.96 9.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -161.6 -175.27 4.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.602 ' O ' ' CD1' ' A' ' 44' ' ' PHE . . . -149.06 159.65 28.12 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -105.81 148.64 27.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.798 0.332 . . . . 0.0 110.889 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.878 ' CD1' HD11 ' A' ' 80' ' ' LEU . 33.1 mt -128.87 115.43 36.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.134 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -80.21 101.49 8.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.49 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 76.3 m -51.18 127.14 18.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.73 9.11 38.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -115.58 -42.49 3.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.496 ' CD ' ' HB3' ' A' ' 40' ' ' ALA . 14.7 ptm180 -102.96 -6.7 22.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 60.01 34.45 21.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.496 ' HB3' ' CD ' ' A' ' 38' ' ' ARG . . . -119.43 132.2 55.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.08 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 23.4 mtm180 -74.35 111.26 9.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.646 HD11 HG22 ' A' ' 66' ' ' VAL . 8.2 mt -94.59 166.25 12.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.548 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -124.1 108.3 12.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.668 ' HB3' HD12 ' A' ' 33' ' ' ILE . 2.2 p90 -103.29 141.6 35.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -94.81 140.13 30.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.1 t -52.04 -17.57 1.09 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.7 m -79.8 -29.66 40.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.4 ' CG ' ' HA ' ' A' ' 78' ' ' VAL . 62.7 mm-40 -65.34 -43.77 89.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.912 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.437 ' CD2' HD22 ' A' ' 53' ' ' LEU . 13.0 t80 -54.28 132.15 43.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.958 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 36.1 m-20 -80.86 -38.15 28.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -77.89 -144.98 2.35 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.485 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.426 ' O ' ' C ' ' A' ' 53' ' ' LEU . 11.5 t-20 -117.73 112.67 20.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 110.873 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.437 HD22 ' CD2' ' A' ' 49' ' ' TYR . 1.3 mm? -35.17 -40.42 0.13 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.916 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -43.3 -49.43 6.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.925 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -67.28 -36.57 81.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.611 HD11 HG11 ' A' ' 62' ' ' VAL . 11.3 tp -64.91 154.98 35.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.945 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.2 pttt -159.32 160.29 34.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.723 HG13 ' O ' ' A' ' 23' ' ' ILE . 87.4 t -73.43 123.73 29.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.116 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 105.77 21.05 8.89 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.518 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -123.95 143.01 50.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.833 0.349 . . . . 0.0 110.867 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -69.54 142.72 53.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.866 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.639 HG12 ' HA ' ' A' ' 82' ' ' LYS . 1.0 OUTLIER -154.17 142.31 13.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.11 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.421 ' HB3' HG13 ' A' ' 81' ' ' VAL . 6.8 tt0 -98.63 131.28 44.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.723 ' CE2' HG21 ' A' ' 33' ' ' ILE . 33.9 p90 -142.91 176.7 8.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.474 ' O ' HG22 ' A' ' 78' ' ' VAL . 4.8 tp10 -121.23 124.86 45.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.646 HG22 HD11 ' A' ' 42' ' ' LEU . 80.7 t -79.77 114.85 21.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.139 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.3 t -124.1 172.2 9.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.9 p -102.91 123.55 46.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.86 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -58.07 171.66 0.51 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -110.92 0.39 17.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 19.0 mtt-85 -116.87 -34.64 4.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 18.2 p -123.97 -7.44 7.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.132 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 58.48 13.88 18.46 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.465 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.3 mmtp -79.39 152.23 75.71 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.605 0.717 . . . . 0.0 110.858 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.488 ' O ' HD22 ' A' ' 42' ' ' LEU . 53.4 Cg_endo -69.77 102.96 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.66 2.24 . . . . 0.0 112.332 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 8.9 pt -112.64 158.78 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -88.69 143.31 27.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.075 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.474 HG22 ' O ' ' A' ' 65' ' ' GLU . 27.7 m -144.17 162.22 15.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.142 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.0 mttt 46.61 49.88 13.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.878 HD11 ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -62.88 158.23 19.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.972 179.84 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.421 HG13 ' HB3' ' A' ' 63' ' ' GLU . 1.2 p -165.4 131.53 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.167 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.639 ' HA ' HG12 ' A' ' 62' ' ' VAL . 21.4 tttt -67.46 126.61 29.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.1 mt -66.02 -58.22 7.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.105 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 89.1 p -82.8 129.65 35.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -148.13 83.25 0.18 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.496 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 102.05 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.659 2.239 . . . . 0.0 112.349 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 22.3 t -71.51 145.97 48.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.4 t -119.01 -43.13 2.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.5 -179.972 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.6 m -69.78 89.2 0.56 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.869 0.366 . . . . 0.0 110.869 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 m 60.32 38.34 19.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.27 120.26 2.55 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.484 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 t -108.15 92.36 4.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.871 0.367 . . . . 0.0 110.829 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.1 m -104.34 161.26 14.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.84 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.46 101.76 0.62 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.438 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 150.59 48.53 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.429 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.538 ' HA ' ' C ' ' A' ' 10' ' ' PRO . 23.5 p90 -123.47 153.14 65.74 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.702 0.763 . . . . 0.0 110.894 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 9' ' ' TYR . 54.0 Cg_endo -69.7 135.4 33.53 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.358 -0.118 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -47.04 132.97 11.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -163.89 58.77 0.27 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.458 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 63.8 p 42.54 43.98 3.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.837 0.351 . . . . 0.0 111.166 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 77.4 p -89.63 41.96 1.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.61 161.1 14.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.098 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.12 125.88 28.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.857 HD13 ' O ' ' A' ' 17' ' ' LEU . 1.1 tm? -122.0 99.97 6.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.7 mmm-85 -65.28 119.42 10.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.848 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.512 ' CD ' ' CD1' ' A' ' 17' ' ' LEU . 7.6 mm-40 -96.68 154.11 17.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.683 HG22 ' HG3' ' A' ' 63' ' ' GLU . 31.0 p -127.75 139.71 52.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -151.38 -124.91 1.17 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.509 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.401 HG12 ' HB3' ' A' ' 34' ' ' GLN . 3.6 p -157.11 151.72 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.805 0.336 . . . . 0.0 111.099 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.601 HD13 HG12 ' A' ' 33' ' ' ILE . 15.4 mm -78.86 90.9 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -65.17 -46.62 80.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.499 ' HD2' HD11 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -139.2 153.22 47.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.932 179.898 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.486 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 2.7 tp -146.28 139.47 25.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.943 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.499 HD11 ' HD2' ' A' ' 25' ' ' LYS . 5.1 mp -131.59 -175.54 3.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.946 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 43.7 m -80.34 -19.25 46.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.132 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.5 m -102.14 -38.71 7.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -165.48 -176.52 4.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -150.93 167.11 30.52 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.449 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -113.61 142.14 46.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.815 0.34 . . . . 0.0 110.882 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.904 HG21 ' CE1' ' A' ' 64' ' ' PHE . 22.3 mt -119.54 119.01 59.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.401 ' HB3' HG12 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -78.36 107.51 11.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.485 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 64.9 m -65.6 110.29 2.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.7 m -80.51 8.88 6.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -109.99 -40.7 4.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.571 ' CD ' ' HB3' ' A' ' 40' ' ' ALA . 11.6 ptm180 -105.05 -6.52 19.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 62.61 39.71 11.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.571 ' HB3' ' CD ' ' A' ' 38' ' ' ARG . . . -132.82 139.48 47.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.096 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.497 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 9.3 ptt85 -83.02 112.69 20.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.647 HD12 ' HE2' ' A' ' 64' ' ' PHE . 9.5 mt -90.77 169.99 10.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.563 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -124.1 105.16 9.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 179.917 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.597 ' HB3' HD12 ' A' ' 33' ' ' ILE . 1.9 p90 -101.23 139.84 36.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.9 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -92.45 140.83 29.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 31.2 m -54.29 -14.87 1.3 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.8 p -81.32 -31.39 33.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.9 mm-40 -63.18 -52.01 64.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -51.69 126.32 17.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.959 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 19.3 p-10 -78.95 -41.04 30.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.5 -143.69 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.428 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' ' 53' ' ' LEU . 51.8 t-20 -123.65 112.62 17.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.939 0.399 . . . . 0.0 110.845 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 52' ' ' ASN . 4.0 mm? -34.56 -43.96 0.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.918 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -43.67 -49.07 7.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -66.25 -36.8 83.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.849 HD11 HG11 ' A' ' 62' ' ' VAL . 10.5 tp -68.74 149.04 49.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.963 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.407 ' HE3' ' CG ' ' A' ' 60' ' ' ASP . 7.3 pttp -155.24 163.73 39.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.49 HG13 ' O ' ' A' ' 23' ' ' ILE . 41.6 t -74.94 109.86 8.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.164 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 119.96 17.35 4.61 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.458 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.407 ' CG ' ' HE3' ' A' ' 57' ' ' LYS . 33.4 m-20 -119.39 139.77 51.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.802 0.334 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.415 ' HB3' HD12 ' A' ' 83' ' ' ILE . 40.8 m-20 -68.13 138.39 55.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.849 HG11 HD11 ' A' ' 56' ' ' LEU . 1.7 m -151.21 141.84 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.161 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.683 ' HG3' HG22 ' A' ' 20' ' ' THR . 12.0 tt0 -99.8 139.12 35.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.904 ' CE1' HG21 ' A' ' 33' ' ' ILE . 16.8 p90 -147.13 176.73 9.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.638 ' O ' HG22 ' A' ' 78' ' ' VAL . 2.6 tt0 -122.81 127.56 49.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.437 HG22 HD11 ' A' ' 42' ' ' LEU . 85.4 t -79.74 119.87 29.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.099 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.3 t -125.06 179.21 5.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 26.1 p -118.36 106.66 12.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.827 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -48.54 170.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.873 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.593 ' HE ' ' N ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -110.9 -13.96 14.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 -179.904 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.0 mmt85 -97.93 -41.16 8.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 43.6 p -112.85 -16.88 12.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 61.78 17.55 54.65 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.506 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 51.1 mmtt -88.84 151.76 47.85 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.538 0.685 . . . . 0.0 110.899 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 102.84 1.08 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.655 2.237 . . . . 0.0 112.348 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.0 pt -115.88 166.03 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -89.62 152.25 21.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.102 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.638 HG22 ' O ' ' A' ' 65' ' ' GLU . 17.2 m -150.98 158.0 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.106 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 32.3 mtmt 48.43 50.22 17.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.869 HD11 ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -63.04 151.06 40.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.927 179.917 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.441 HG23 ' HB3' ' A' ' 63' ' ' GLU . 6.5 m -155.25 129.21 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.124 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.714 ' HA ' HG12 ' A' ' 62' ' ' VAL . 19.9 tttt -66.43 119.23 11.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.415 HD12 ' HB3' ' A' ' 61' ' ' ASP . 1.7 mt -57.18 -61.68 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.135 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.0 m -92.32 94.82 9.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 150.24 81.85 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.549 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 117.14 4.91 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.676 2.251 . . . . 0.0 112.353 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.6 t -66.71 137.35 56.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.813 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 60.7 p -132.05 144.14 50.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.865 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.51 -179.961 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.2 t -163.07 129.56 3.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 0.0 110.838 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.4 p -44.37 109.05 0.13 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.872 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.91 62.01 0.33 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.48 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -71.04 82.16 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.867 0.365 . . . . 0.0 110.83 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.8 t -114.5 -39.32 3.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.841 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.83 -111.23 3.98 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.471 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -177.28 53.04 0.1 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.519 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.55 ' HA ' ' C ' ' A' ' 10' ' ' PRO . 51.0 m-85 -151.55 151.48 28.83 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.685 0.755 . . . . 0.0 110.93 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.55 ' C ' ' HA ' ' A' ' 9' ' ' TYR . 53.9 Cg_endo -69.76 136.98 41.46 Favored 'Cis proline' 0 C--N 1.342 0.206 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.369 -0.092 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.47 ' OD1' ' CD2' ' A' ' 9' ' ' TYR . 13.1 m-20 -34.45 131.36 0.33 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -80.89 -138.45 2.23 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.534 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.58 ' O ' HG23 ' A' ' 13' ' ' THR . 11.8 t -158.36 113.52 2.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.84 0.352 . . . . 0.0 111.126 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 51.1 m -103.82 98.31 8.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.45 -8.93 59.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.141 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -111.63 123.11 49.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.532 HD13 ' O ' ' A' ' 17' ' ' LEU . 1.4 tm? -134.99 110.44 9.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.503 ' N ' HD22 ' A' ' 17' ' ' LEU . 37.1 mmm-85 -72.79 123.45 23.37 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.436 ' CD ' ' CD1' ' A' ' 17' ' ' LEU . 7.5 mm-40 -104.43 153.79 20.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.9 p -121.82 147.98 45.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.194 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -155.55 -136.79 2.25 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.0 p -149.97 131.75 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.781 0.324 . . . . 0.0 111.092 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.814 HD13 HG12 ' A' ' 33' ' ' ILE . 20.2 mm -62.69 95.06 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.169 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -69.27 -44.42 71.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.538 ' HD2' HD11 ' A' ' 27' ' ' LEU . 7.4 tmtm? -137.45 154.65 49.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.472 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 3.7 tp -147.89 138.29 22.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.538 HD11 ' HD2' ' A' ' 25' ' ' LYS . 4.7 mp -132.56 -174.81 3.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.9 m -81.09 -22.62 39.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.7 m -97.53 -40.95 8.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.868 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -162.78 178.57 8.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.586 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -145.02 162.4 28.12 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.489 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -108.83 153.05 24.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.77 0.319 . . . . 0.0 110.909 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.814 HG12 HD13 ' A' ' 23' ' ' ILE . 21.5 mt -131.15 114.71 27.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.099 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 35' ' ' CYS . 1.2 tp-100 -78.33 89.06 4.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.407 ' C ' ' O ' ' A' ' 34' ' ' GLN . 64.8 m -37.82 132.64 0.91 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.8 m -98.82 3.1 47.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -108.54 -41.18 4.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -103.18 -11.98 17.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 63.95 50.53 2.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -134.14 145.39 49.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.106 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 35.2 mtm180 -82.86 100.55 10.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.64 HD12 ' CE2' ' A' ' 64' ' ' PHE . 8.3 mt -84.73 164.94 18.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.556 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -123.26 105.1 9.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.876 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.647 ' HB3' HD12 ' A' ' 33' ' ' ILE . 2.3 p90 -101.25 139.14 37.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -91.95 138.9 31.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.4 p -52.91 -15.97 0.91 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.1 m -80.69 -30.79 36.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 71.3 mm-40 -63.58 -45.66 89.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.438 ' HD2' HD22 ' A' ' 53' ' ' LEU . 16.7 t80 -56.82 128.95 39.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -80.15 -36.98 34.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.86 -139.31 0.25 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.546 ' ND2' ' OE1' ' A' ' 54' ' ' GLN . 1.9 t-20 -127.9 109.83 11.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.872 0.368 . . . . 0.0 110.895 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 52' ' ' ASN . 3.8 mm? -34.1 -40.14 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.546 ' OE1' ' ND2' ' A' ' 52' ' ' ASN . 10.2 mp0 -42.41 -50.62 5.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -66.93 -36.88 83.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.665 HD11 HG11 ' A' ' 62' ' ' VAL . 11.7 tp -67.89 147.64 52.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.3 pttp -149.38 156.66 42.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.478 ' HA ' HG22 ' A' ' 23' ' ' ILE . 30.8 t -66.77 114.59 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 113.51 15.47 8.83 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.528 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -115.29 138.28 51.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.748 0.309 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.462 ' O ' HG13 ' A' ' 62' ' ' VAL . 3.6 m-20 -66.23 144.05 56.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.868 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.68 HG12 ' HA ' ' A' ' 82' ' ' LYS . 0.7 OUTLIER -157.07 142.29 8.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.113 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.414 ' HB3' HG23 ' A' ' 81' ' ' VAL . 8.7 tt0 -96.76 133.93 40.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.776 ' CE1' HG21 ' A' ' 33' ' ' ILE . 23.6 p90 -143.92 176.65 9.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.864 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.494 ' O ' HG22 ' A' ' 78' ' ' VAL . 5.8 tp10 -123.03 125.63 45.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.431 HG22 HD11 ' A' ' 42' ' ' LEU . 75.0 t -79.16 121.0 31.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.091 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.2 t -130.5 165.97 21.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.831 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 64.4 p -105.31 109.17 21.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.826 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -48.1 175.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.58 ' HE ' ' N ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -114.5 -16.66 11.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.906 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 32.7 mmt180 -95.97 -41.44 8.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 44.2 p -110.69 -20.97 12.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.193 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 67.47 14.95 65.34 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.43 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.2 mmtt -88.12 152.54 50.68 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.592 0.71 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 105.35 1.47 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.651 2.234 . . . . 0.0 112.345 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.6 pt -118.19 159.02 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.116 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -87.15 149.89 24.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.494 HG22 ' O ' ' A' ' 65' ' ' GLU . 23.6 m -148.25 160.54 6.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.137 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.5 mmpt? 47.54 49.44 16.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.777 HD11 ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -61.68 149.26 40.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.916 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 81' ' ' VAL . 34.3 m -154.42 126.93 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.125 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.68 ' HA ' HG12 ' A' ' 62' ' ' VAL . 7.0 tttm -64.7 123.2 18.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.1 mt -63.97 -47.81 88.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.086 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 56.9 p -94.48 118.74 32.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -154.88 87.12 0.13 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.487 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 119.03 6.04 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.703 2.269 . . . . 0.0 112.337 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 89.4 p -95.58 -176.06 3.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.2 m -80.9 179.12 7.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 179.976 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.4 p -98.99 90.26 4.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.876 0.369 . . . . 0.0 110.855 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -43.94 -52.21 7.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.852 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.2 92.73 2.14 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.491 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.9 p -102.11 89.98 3.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.878 0.37 . . . . 0.0 110.873 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -116.43 154.29 30.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.13 56.63 1.57 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.479 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 166.49 -163.43 36.94 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.478 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.538 ' HA ' ' C ' ' A' ' 10' ' ' PRO . 1.8 p90 -60.88 154.17 60.59 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.723 0.773 . . . . 0.0 110.912 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 9' ' ' TYR . 53.8 Cg_endo -69.74 130.83 17.56 Favored 'Cis proline' 0 C--N 1.342 0.188 0 C-N-CA 122.742 -1.774 . . . . 0.0 112.326 -0.029 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.419 ' N ' ' HA ' ' A' ' 9' ' ' TYR . 20.9 t-20 -57.69 98.38 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 11' ' ' ASN . . . 60.16 142.16 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.508 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 14' ' ' SER . 24.7 m -95.1 116.98 29.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.763 0.316 . . . . 0.0 111.144 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 13' ' ' THR . 62.7 m -37.2 104.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -101.02 133.36 45.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.078 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.85 163.22 27.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.075 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.586 HD22 ' C ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -149.58 161.45 42.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.967 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.0 mmm-85 -77.62 120.8 23.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -102.16 154.05 19.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.506 HG22 ' HG3' ' A' ' 63' ' ' GLU . 28.0 p -117.59 141.47 48.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.164 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -149.85 -137.42 2.75 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.456 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.47 ' O ' ' N ' ' A' ' 34' ' ' GLN . 2.9 p -151.17 145.12 16.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.799 0.333 . . . . 0.0 111.11 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.822 HD13 HG12 ' A' ' 33' ' ' ILE . 12.9 mm -77.21 93.61 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.132 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -68.24 -40.51 81.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.466 ' HD3' ' N ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -143.39 155.19 44.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.466 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 4.0 tp -146.97 136.91 23.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.412 ' N ' HD12 ' A' ' 27' ' ' LEU . 4.8 mp -127.87 -174.54 3.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 51.3 m -81.09 -22.51 39.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.104 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.1 m -99.27 -40.27 8.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.848 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -160.08 -175.92 5.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.942 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.498 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -150.3 162.16 29.16 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.48 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -106.81 144.42 33.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.813 0.339 . . . . 0.0 110.92 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.914 ' CD1' HD11 ' A' ' 80' ' ' LEU . 34.4 mt -125.57 110.89 25.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.47 ' N ' ' O ' ' A' ' 22' ' ' VAL . 1.1 tp-100 -78.5 95.83 5.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.497 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 14.3 m -46.91 138.15 6.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 37.8 m -98.53 -11.28 22.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -96.56 -43.8 7.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.497 ' HG2' ' CB ' ' A' ' 35' ' ' CYS . 16.8 ptp180 -98.59 -12.34 21.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.914 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 58.67 54.06 5.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -137.73 137.2 38.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.088 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.471 ' HB2' ' CZ ' ' A' ' 41' ' ' ARG . 16.9 mtm105 -76.24 100.77 5.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.586 HD12 ' CE2' ' A' ' 64' ' ' PHE . 10.5 mt -86.76 164.85 16.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.486 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -121.26 107.99 13.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.641 ' HB3' HD12 ' A' ' 33' ' ' ILE . 1.8 p90 -104.0 141.48 36.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -95.23 141.7 28.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 77.3 m -51.54 -16.84 0.67 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.6 t -80.6 -30.58 36.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.4 mm-40 -62.0 -50.12 73.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.446 ' HD2' HD22 ' A' ' 53' ' ' LEU . 11.0 t80 -56.28 116.53 3.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 61.7 m-20 -81.55 2.48 28.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -102.19 -147.08 19.07 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.488 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -114.34 107.1 15.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.863 0.363 . . . . 0.0 110.894 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.446 HD22 ' HD2' ' A' ' 49' ' ' TYR . 4.1 mm? -39.19 -39.17 0.57 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -50.56 -47.25 57.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -68.81 -30.46 69.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.585 HD11 HG11 ' A' ' 62' ' ' VAL . 10.8 tp -71.85 156.25 39.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.2 ptpp? -163.29 170.31 17.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.95 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.724 HG13 ' O ' ' A' ' 23' ' ' ILE . 97.1 t -82.59 117.77 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.161 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 111.88 19.84 7.11 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.499 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -123.15 128.48 50.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.812 0.339 . . . . 0.0 110.83 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -56.95 140.74 47.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.828 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.705 HG12 ' HA ' ' A' ' 82' ' ' LYS . 1.2 m -152.22 142.31 15.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.158 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.506 ' HG3' HG22 ' A' ' 20' ' ' THR . 12.0 tt0 -99.63 132.78 44.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.885 ' CE1' HG21 ' A' ' 33' ' ' ILE . 18.4 p90 -141.54 176.82 8.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -118.16 119.92 36.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 89.4 t -76.63 118.76 23.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.42 ' O ' ' HA ' ' A' ' 75' ' ' PRO . 1.1 t -131.35 177.27 7.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.865 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.437 ' O ' ' NH2' ' A' ' 70' ' ' ARG . 34.0 p -116.2 121.84 43.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -55.46 178.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.709 ' HE ' ' N ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -104.35 -27.5 11.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.895 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 49.6 mtt-85 -88.76 -59.93 2.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 6.1 p -91.73 -19.27 22.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.185 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 61.85 12.07 33.63 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.498 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.5 mmtt -73.02 153.47 90.83 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.538 0.685 . . . . 0.0 110.889 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.42 ' HA ' ' O ' ' A' ' 67' ' ' SER . 53.8 Cg_endo -69.77 100.27 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.609 2.206 . . . . 0.0 112.375 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 11.1 pt -113.53 162.89 11.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.096 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -95.12 152.66 18.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.081 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 35.3 m -149.72 163.45 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.116 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.6 mmpt? 45.4 48.6 10.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.914 HD11 ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -59.93 151.97 24.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.88 179.911 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.448 HG23 ' HB3' ' A' ' 63' ' ' GLU . 2.1 m -155.41 131.53 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.071 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.705 ' HA ' HG12 ' A' ' 62' ' ' VAL . 25.8 tttt -70.05 122.38 19.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.3 mt -60.18 -52.54 60.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.8 m -113.32 100.63 8.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 163.44 139.4 2.63 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.508 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 120.85 7.58 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.669 2.246 . . . . 0.0 112.375 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 38.5 m -98.62 112.61 24.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.864 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.7 t -116.23 100.5 7.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.839 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.475 179.977 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -86.59 82.98 7.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.872 0.368 . . . . 0.0 110.878 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.5 p -44.91 132.32 6.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.834 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.78 108.47 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.468 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.8 p -98.7 41.57 1.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.857 0.361 . . . . 0.0 110.866 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m -76.55 -45.68 29.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.35 -122.53 5.41 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.466 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 142.73 -159.4 27.29 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.495 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.534 ' HA ' ' C ' ' A' ' 10' ' ' PRO . 49.7 m-85 -149.0 155.8 40.43 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.647 0.737 . . . . 0.0 110.963 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 9' ' ' TYR . 53.3 Cg_endo -69.83 -32.49 3.91 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.341 0.021 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 20.9 m-20 55.22 42.58 30.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 168.79 125.14 0.77 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.47 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.1 m -70.87 135.09 47.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.781 0.324 . . . . 0.0 111.148 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 31.0 m -100.76 87.79 3.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.898 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -103.21 158.61 16.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.083 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.18 172.57 10.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.651 HD22 ' C ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -141.0 166.78 23.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.906 -179.916 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.503 ' N ' HD22 ' A' ' 17' ' ' LEU . 42.5 mmm-85 -85.21 124.5 31.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.615 ' OE2' HG21 ' A' ' 66' ' ' VAL . 8.8 mt-10 -99.02 154.17 18.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 35.0 p -123.36 139.83 53.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.152 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -148.85 -133.87 2.31 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.495 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 34' ' ' GLN . 6.7 p -152.36 141.53 14.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.775 0.321 . . . . 0.0 111.125 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.705 HD13 HG12 ' A' ' 33' ' ' ILE . 10.0 mm -73.55 93.3 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -67.02 -43.97 81.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.708 ' HE3' HD11 ' A' ' 27' ' ' LEU . 0.9 OUTLIER -141.26 157.41 45.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.478 ' N ' ' HD2' ' A' ' 25' ' ' LYS . 3.8 tp -146.81 138.04 24.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.708 HD11 ' HE3' ' A' ' 25' ' ' LYS . 4.5 mp -129.03 -175.69 3.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 45.7 m -81.75 -17.63 47.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.136 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 41.0 m -104.44 -40.67 5.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.837 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -157.53 -174.99 5.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.561 ' HA3' ' CE1' ' A' ' 44' ' ' PHE . . . -150.95 159.42 28.15 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.508 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -106.03 143.98 33.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.859 0.361 . . . . 0.0 110.848 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.827 ' CD1' HD11 ' A' ' 80' ' ' LEU . 33.2 mt -125.73 111.66 27.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.162 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 22' ' ' VAL . 1.0 OUTLIER -75.88 95.27 3.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.484 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 18.6 m -40.14 145.62 0.15 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.6 m -107.27 -0.82 22.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -110.75 -36.06 5.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.526 ' CD ' ' HB3' ' A' ' 40' ' ' ALA . 14.2 ptm180 -108.83 0.63 20.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.521 ' CG ' ' O ' ' A' ' 38' ' ' ARG . 5.8 pt20 50.23 33.98 8.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.526 ' HB3' ' CD ' ' A' ' 38' ' ' ARG . . . -114.27 143.91 44.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.084 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 22.2 mtp180 -81.05 108.56 14.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.615 HD12 ' CE1' ' A' ' 64' ' ' PHE . 8.0 mt -91.19 165.61 13.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.623 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -124.34 108.43 12.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.707 ' HB3' HD12 ' A' ' 33' ' ' ILE . 2.4 p90 -105.53 141.13 37.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.868 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -95.32 139.65 31.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 67.6 m -51.09 -20.96 1.63 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.2 t -75.77 -30.85 59.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 68.3 mm-40 -62.78 -49.47 74.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.492 ' HD2' HD22 ' A' ' 53' ' ' LEU . 10.3 t80 -46.95 142.64 3.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.966 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.3 p-10 -88.74 -43.52 11.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -79.23 -155.19 9.06 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.518 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -100.55 122.57 43.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.896 0.379 . . . . 0.0 110.885 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.492 HD22 ' HD2' ' A' ' 49' ' ' TYR . 3.1 mm? -43.96 -34.42 1.69 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -48.33 -45.48 35.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.947 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -68.7 -37.66 79.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.891 HD11 HG11 ' A' ' 62' ' ' VAL . 10.1 tp -69.68 150.48 46.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.9 ptpp? -152.39 172.92 15.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.493 HG13 ' O ' ' A' ' 23' ' ' ILE . 74.3 t -84.21 125.81 40.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.096 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.0 22.58 10.6 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.495 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -123.53 145.72 48.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.793 0.33 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.46 142.02 51.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.891 HG11 HD11 ' A' ' 56' ' ' LEU . 0.6 OUTLIER -154.2 144.61 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -100.66 134.5 43.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.773 ' CE2' HG21 ' A' ' 33' ' ' ILE . 29.0 p90 -144.92 176.73 9.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.494 ' O ' HG22 ' A' ' 78' ' ' VAL . 1.4 tt0 -119.65 117.88 29.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.615 HG21 ' OE2' ' A' ' 19' ' ' GLU . 94.7 t -71.46 119.1 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.421 ' O ' ' HA ' ' A' ' 75' ' ' PRO . 1.3 t -132.09 179.11 6.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 18.5 m -114.29 127.87 56.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -62.33 170.09 2.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.428 ' N ' ' HD2' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -101.49 -12.52 18.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.831 -179.849 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 34.3 mmt180 -100.13 -60.68 1.48 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 25.9 p -94.31 -19.56 20.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.139 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 68.05 12.89 63.52 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.52 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.8 mmtt -75.78 153.53 85.13 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.582 0.706 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.472 ' O ' HD22 ' A' ' 42' ' ' LEU . 53.1 Cg_endo -69.83 98.19 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.667 2.245 . . . . 0.0 112.296 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 8.3 pt -109.52 164.96 5.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.101 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -96.27 147.38 23.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.494 HG22 ' O ' ' A' ' 65' ' ' GLU . 30.9 m -143.39 168.07 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.9 mmpt? 41.25 52.09 3.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.827 HD11 ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -64.01 151.22 43.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 179.903 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.449 ' O ' HG13 ' A' ' 81' ' ' VAL . 10.0 p -161.09 123.43 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.138 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.647 ' HA ' HG12 ' A' ' 62' ' ' VAL . 13.3 tttm -58.5 131.77 51.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.3 mt -67.85 -53.29 31.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.076 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 26.6 t -111.83 178.8 4.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.839 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 158.53 119.31 0.56 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.471 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 176.43 6.8 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.672 2.248 . . . . 0.0 112.343 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 75.6 m -123.76 128.4 49.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.814 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.5 t -95.39 -63.02 1.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.462 179.994 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.7 m -61.77 171.08 1.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.899 0.381 . . . . 0.0 110.848 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -131.56 41.89 3.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.892 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.45 41.07 98.45 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.485 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -63.99 82.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.866 0.365 . . . . 0.0 110.834 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -119.82 -61.66 1.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 53.91 -144.26 27.5 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.526 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.45 159.14 53.17 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.488 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.542 ' HA ' ' C ' ' A' ' 10' ' ' PRO . 5.8 p90 -156.9 151.6 20.7 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.666 0.746 . . . . 0.0 110.918 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 9' ' ' TYR . 53.6 Cg_endo -69.75 -41.78 0.85 Allowed 'Cis proline' 0 C--N 1.341 0.155 0 C-N-CA 122.741 -1.774 . . . . 0.0 112.339 -0.071 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -129.13 78.36 1.85 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 63.87 -154.57 46.28 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.497 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 67.2 p -80.98 154.23 27.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.821 0.343 . . . . 0.0 111.101 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.6 t -122.71 115.99 23.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -118.73 160.66 21.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.058 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -117.49 173.2 6.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.097 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.866 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -156.43 143.06 18.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.587 ' C ' HD22 ' A' ' 17' ' ' LEU . 26.9 mmm-85 -64.37 121.9 15.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.818 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.563 ' OE1' HD21 ' A' ' 17' ' ' LEU . 5.8 mm-40 -102.54 154.74 18.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.5 p -123.83 144.21 49.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.154 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -149.34 -123.3 1.24 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.498 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.3 p -164.07 133.12 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.764 0.316 . . . . 0.0 111.164 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.867 HD11 HG21 ' A' ' 62' ' ' VAL . 28.4 mm -62.17 95.75 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -72.8 -43.72 62.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.591 ' HD2' HD11 ' A' ' 27' ' ' LEU . 5.9 tmtm? -141.78 150.4 41.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.421 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 2.9 tp -144.36 138.76 28.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.591 HD11 ' HD2' ' A' ' 25' ' ' LYS . 3.9 mp -128.99 -174.77 3.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.93 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 82.9 m -78.61 -24.05 45.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.164 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.9 m -97.69 -41.91 7.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -162.27 -175.69 4.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.902 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.479 ' O ' ' CD1' ' A' ' 44' ' ' PHE . . . -150.96 164.79 30.09 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.499 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -108.79 144.9 36.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.867 0.365 . . . . 0.0 110.867 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.87 ' CD1' HD11 ' A' ' 80' ' ' LEU . 38.4 mt -121.79 117.03 51.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.149 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -81.09 102.09 10.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.505 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 85.9 m -57.24 126.48 27.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.9 m -89.19 6.01 42.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -109.39 -45.09 3.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.863 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.505 ' HG2' ' CB ' ' A' ' 35' ' ' CYS . 4.4 ptp180 -99.31 -11.4 21.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 62.75 48.78 4.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -135.37 141.19 45.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.533 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 10.9 ptt85 -83.4 102.79 12.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.522 HD12 ' CE2' ' A' ' 64' ' ' PHE . 12.2 mt -83.22 172.54 12.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.487 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -127.4 105.64 8.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.546 ' HB3' HD12 ' A' ' 33' ' ' ILE . 2.2 p90 -102.04 140.38 36.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -93.54 141.54 28.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 33.9 m -53.28 -15.59 1.01 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.3 t -80.1 -32.51 39.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.814 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -62.11 -50.65 71.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.954 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.461 ' HD2' HD22 ' A' ' 53' ' ' LEU . 13.5 t80 -50.96 132.64 27.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.941 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 34.0 m-80 -86.31 -38.98 16.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.46 -141.77 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.475 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.436 ' O ' ' C ' ' A' ' 53' ' ' LEU . 32.8 t-20 -122.02 112.24 18.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.826 0.346 . . . . 0.0 110.898 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.461 HD22 ' HD2' ' A' ' 49' ' ' TYR . 4.0 mm? -34.73 -43.37 0.18 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -45.71 -49.07 15.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -65.1 -37.47 87.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.75 HD11 HG11 ' A' ' 62' ' ' VAL . 9.4 tp -69.94 158.27 35.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.942 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.6 pttt -167.29 171.12 10.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.5 HG13 ' O ' ' A' ' 23' ' ' ILE . 54.6 t -76.45 125.64 36.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.096 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 102.07 19.13 15.45 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.468 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.27 142.26 47.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.831 0.348 . . . . 0.0 110.83 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -76.47 136.33 39.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.869 HG12 ' HA ' ' A' ' 82' ' ' LYS . 1.6 m -147.71 160.77 7.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -116.41 131.66 56.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.842 ' CE1' HG21 ' A' ' 33' ' ' ILE . 18.5 p90 -141.05 176.69 8.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.591 ' O ' HG22 ' A' ' 78' ' ' VAL . 6.4 tt0 -121.9 120.69 35.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 83.3 t -72.17 114.8 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.111 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.2 m -126.11 175.56 7.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -107.73 130.28 54.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.85 -179.802 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -64.34 168.62 5.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.861 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -103.39 1.35 32.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -119.8 -46.01 2.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 78.4 p -109.53 -8.96 14.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.121 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 55.31 16.97 10.54 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.444 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.2 mmtt -80.94 152.92 72.26 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.565 0.698 . . . . 0.0 110.871 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.47 ' O ' HD22 ' A' ' 42' ' ' LEU . 53.5 Cg_endo -69.81 103.08 1.11 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.665 2.244 . . . . 0.0 112.344 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 10.2 pt -114.53 169.37 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -94.68 143.91 26.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.078 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.591 HG22 ' O ' ' A' ' 65' ' ' GLU . 15.7 m -145.13 160.15 13.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.123 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.7 mtmm 46.29 50.43 12.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.87 HD11 ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -62.35 155.95 23.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 179.919 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.443 ' O ' HG13 ' A' ' 81' ' ' VAL . 6.7 p -164.65 118.81 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.094 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.869 ' HA ' HG12 ' A' ' 62' ' ' VAL . 9.2 tttm -56.93 132.56 53.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.1 mt -66.98 -62.75 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.104 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 50.6 m -95.87 167.22 11.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 139.84 83.41 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.453 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 87' ' ' SER . 54.0 Cg_endo -69.73 116.7 4.68 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.71 2.273 . . . . 0.0 112.324 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 86' ' ' PRO . 98.5 p -36.23 114.58 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 89.1 p -95.35 177.64 5.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.839 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.547 -179.984 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.8 m -116.17 116.24 27.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.883 0.373 . . . . 0.0 110.855 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.2 m -156.18 159.83 39.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.813 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.27 88.29 0.12 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.488 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.3 p -93.94 42.01 1.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.888 0.375 . . . . 0.0 110.889 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.9 p -150.38 169.2 21.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.33 65.81 4.05 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.546 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -174.15 91.62 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.464 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.541 ' HA ' ' C ' ' A' ' 10' ' ' PRO . 2.1 p90 -138.29 153.8 73.28 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.683 0.754 . . . . 0.0 110.888 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 9' ' ' TYR . 53.9 Cg_endo -69.76 132.12 21.32 Favored 'Cis proline' 0 C--N 1.341 0.157 0 C-N-CA 122.67 -1.804 . . . . 0.0 112.312 -0.074 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -46.24 129.65 10.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 64.71 112.43 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.485 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.9 p -94.2 100.17 12.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.76 0.314 . . . . 0.0 111.161 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 18.1 m -147.26 132.43 18.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -110.88 164.64 12.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.055 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -126.73 145.9 50.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.084 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.729 HD13 ' C ' ' A' ' 17' ' ' LEU . 2.0 tm? -92.54 112.2 24.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.406 ' NH2' ' O ' ' A' ' 79' ' ' LYS . 11.8 mmm180 -101.16 126.01 47.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.536 ' CD ' HD11 ' A' ' 17' ' ' LEU . 11.3 mm-40 -101.94 152.52 20.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.674 HG22 ' HG3' ' A' ' 63' ' ' GLU . 31.7 p -124.3 139.35 53.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.16 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -148.3 -134.03 2.38 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.453 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.51 HG12 ' O ' ' A' ' 34' ' ' GLN . 7.8 p -152.34 149.65 13.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.817 0.341 . . . . 0.0 111.14 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.704 HD13 HG12 ' A' ' 33' ' ' ILE . 24.0 mm -79.91 93.69 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -68.71 -46.42 69.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.471 ' HD3' ' N ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -140.28 153.13 46.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.471 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 2.7 tp -143.31 138.19 29.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.9 mp -129.49 -174.51 3.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 63.6 m -78.45 -28.59 46.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.0 m -91.92 -44.73 8.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -158.95 -175.02 5.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.898 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.566 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -148.88 161.53 28.71 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.473 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -103.49 149.08 25.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.899 0.381 . . . . 0.0 110.822 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.838 ' CD1' HD11 ' A' ' 80' ' ' LEU . 26.8 mt -128.43 114.21 33.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.162 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.51 ' O ' HG12 ' A' ' 22' ' ' VAL . 1.8 tp60 -82.07 102.19 10.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.4 m -50.61 146.9 5.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 17.8 m -106.6 -5.98 18.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -104.19 -35.55 7.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -107.59 -15.47 14.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 63.53 42.59 6.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.934 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.61 141.79 50.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.481 ' HG3' ' NE2' ' A' ' 34' ' ' GLN . 12.5 mtm-85 -80.61 99.04 7.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.477 ' CD2' ' O ' ' A' ' 75' ' ' PRO . 9.9 mt -84.72 162.68 19.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.452 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -121.01 111.97 18.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.885 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.764 ' HB3' HD12 ' A' ' 33' ' ' ILE . 1.9 p90 -106.25 139.61 40.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -94.33 143.39 26.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 11.2 p -52.98 -15.77 0.87 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 43.1 t -80.8 -30.75 35.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 47.4 mm-40 -64.11 -49.78 70.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.955 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.451 ' HD2' HD22 ' A' ' 53' ' ' LEU . 8.9 t80 -50.97 121.93 6.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -87.52 11.15 15.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.903 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -117.87 -137.5 5.79 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.5 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 53' ' ' LEU . 5.0 t-20 -125.68 104.57 8.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.915 0.388 . . . . 0.0 110.881 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.451 HD22 ' HD2' ' A' ' 49' ' ' TYR . 4.1 mm? -34.6 -44.03 0.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -45.26 -48.75 12.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -65.2 -37.47 87.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.712 HD11 HG11 ' A' ' 62' ' ' VAL . 9.8 tp -64.52 165.15 10.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.4 ptmt -167.47 161.32 13.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.469 ' HA ' ' CG2' ' A' ' 23' ' ' ILE . 44.1 t -73.7 116.19 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.127 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 109.7 23.36 6.26 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.441 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -123.4 130.9 53.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.834 0.35 . . . . 0.0 110.867 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -59.1 139.57 56.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.712 HG11 HD11 ' A' ' 56' ' ' LEU . 1.2 m -150.72 142.63 16.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.674 ' HG3' HG22 ' A' ' 20' ' ' THR . 37.2 tt0 -99.87 138.8 36.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.697 ' CE1' HG21 ' A' ' 33' ' ' ILE . 9.1 p90 -148.06 176.83 9.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.653 ' O ' HG22 ' A' ' 78' ' ' VAL . 7.1 tt0 -120.83 112.72 19.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.474 ' CG2' ' HG3' ' A' ' 19' ' ' GLU . 90.1 t -69.18 120.79 17.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.408 ' O ' ' HA ' ' A' ' 75' ' ' PRO . 1.0 OUTLIER -132.89 -179.4 5.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 -179.871 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 63.6 m -111.3 133.94 53.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.831 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -70.54 169.7 13.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.821 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -106.39 -3.17 21.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 73.1 mmt-85 -112.5 -40.73 4.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 66.5 p -113.42 -19.99 11.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.084 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 66.7 14.87 63.48 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.525 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.7 mttt -83.03 154.41 67.29 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.58 0.705 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.477 ' O ' ' CD2' ' A' ' 42' ' ' LEU . 53.7 Cg_endo -69.77 99.42 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.674 2.249 . . . . 0.0 112.346 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 11.2 pt -109.56 167.26 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -96.72 146.66 24.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.07 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.653 HG22 ' O ' ' A' ' 65' ' ' GLU . 26.5 m -145.26 159.53 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.406 ' O ' ' NH2' ' A' ' 18' ' ' ARG . 20.7 mttt 46.65 51.43 12.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.838 HD11 ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -64.27 148.06 51.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 81' ' ' VAL . 27.6 m -157.34 121.49 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.177 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.703 ' HA ' HG12 ' A' ' 62' ' ' VAL . 17.4 tttm -58.33 129.91 44.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 7.3 mt -64.4 -54.33 32.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.109 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.8 t -68.45 104.23 1.85 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.828 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 158.97 63.35 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 144.38 53.79 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.683 2.256 . . . . 0.0 112.376 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 42.3 t -88.72 135.9 33.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 84.4 p -61.82 -47.56 84.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.517 179.978 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.6 p -147.38 122.91 10.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.891 0.377 . . . . 0.0 110.868 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.8 t -84.68 87.34 7.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.872 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.91 -165.49 16.48 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.47 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.1 m -159.8 106.63 1.65 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.889 0.376 . . . . 0.0 110.845 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m 57.75 43.78 21.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.9 131.91 52.1 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.501 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 110.59 -130.64 9.95 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.526 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.557 ' HA ' ' C ' ' A' ' 10' ' ' PRO . 7.5 p90 -144.07 151.2 51.58 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.707 0.765 . . . . 0.0 110.921 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.557 ' C ' ' HA ' ' A' ' 9' ' ' TYR . 54.0 Cg_endo -69.77 138.83 51.17 Favored 'Cis proline' 0 C--N 1.342 0.194 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.299 -0.013 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -73.72 110.64 8.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.4 170.87 15.82 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.512 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 74.6 p -92.69 165.0 13.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.793 0.33 . . . . 0.0 111.108 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 78.0 p -57.91 138.47 55.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -152.84 172.6 16.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.117 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.6 136.81 45.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.085 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.633 HD22 ' N ' ' A' ' 18' ' ' ARG . 1.5 tm? -111.74 119.01 37.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.633 ' N ' HD22 ' A' ' 17' ' ' LEU . 22.8 mmm-85 -83.64 127.73 33.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.83 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -105.79 155.03 19.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 26.8 p -117.88 141.08 48.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.158 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -146.4 -138.48 3.19 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.456 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.497 ' O ' HG13 ' A' ' 22' ' ' VAL . 2.0 p -154.52 123.16 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.781 0.325 . . . . 0.0 111.122 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.627 HD13 HG12 ' A' ' 33' ' ' ILE . 4.5 mm -53.33 93.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.09 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -67.15 -39.49 86.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.439 ' HE3' ' CG ' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -145.48 158.17 43.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.437 ' N ' ' HD2' ' A' ' 25' ' ' LYS . 6.2 tp -144.24 133.07 22.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.449 ' N ' HD12 ' A' ' 27' ' ' LEU . 2.8 mp -126.56 -173.63 2.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.53 -27.58 25.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.2 p -95.05 -23.65 17.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -176.53 -175.05 0.62 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.578 ' HA3' ' CE1' ' A' ' 44' ' ' PHE . . . -148.44 160.83 28.49 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.494 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -105.19 154.71 19.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.827 0.346 . . . . 0.0 110.881 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.816 HG21 ' CE1' ' A' ' 64' ' ' PHE . 43.5 mt -137.54 114.54 12.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -83.69 103.9 13.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.479 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 58.4 m -51.78 137.48 25.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 56.3 m -98.64 2.27 47.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -110.85 -41.39 4.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.848 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.479 ' HG2' ' CB ' ' A' ' 35' ' ' CYS . 10.2 ptm180 -101.25 -14.16 17.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 63.83 44.77 4.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -127.3 138.88 53.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.084 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.4 mtp180 -80.85 102.65 10.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.554 HD12 ' CE2' ' A' ' 64' ' ' PHE . 11.4 mt -85.45 172.59 10.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.499 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -128.35 106.25 8.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.714 ' HB3' HD12 ' A' ' 33' ' ' ILE . 2.2 p90 -102.18 138.14 39.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.866 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -89.82 138.89 31.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 4.1 m -50.77 -17.4 0.54 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.8 t -79.13 -31.82 44.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.407 ' CD ' ' HA ' ' A' ' 78' ' ' VAL . 46.9 mm-40 -59.34 -54.53 45.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.419 ' HD2' HD22 ' A' ' 53' ' ' LEU . 21.9 t80 -53.59 121.58 8.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -76.86 -41.04 45.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.69 -145.11 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.474 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 53' ' ' LEU . 48.6 t30 -116.64 110.9 19.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.827 0.346 . . . . 0.0 110.875 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 52' ' ' ASN . 4.1 mm? -35.22 -39.47 0.11 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -47.13 -49.06 22.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -63.11 -37.61 87.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.839 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.854 HD11 HG11 ' A' ' 62' ' ' VAL . 9.1 tp -65.98 147.09 53.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.44 ' HG2' ' C ' ' A' ' 56' ' ' LEU . 9.3 mtmt -148.21 164.71 33.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.422 HG13 ' O ' ' A' ' 23' ' ' ILE . 39.9 t -80.59 99.62 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 130.7 -1.39 5.57 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.464 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -95.11 157.91 15.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.813 0.339 . . . . 0.0 110.823 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.02 138.76 32.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.854 HG11 HD11 ' A' ' 56' ' ' LEU . 0.9 OUTLIER -152.08 142.48 15.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.077 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.464 ' HB3' HG23 ' A' ' 81' ' ' VAL . 9.9 tt0 -99.32 130.44 45.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.864 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.816 ' CE1' HG21 ' A' ' 33' ' ' ILE . 15.7 p90 -138.63 176.76 8.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -122.07 121.92 38.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.5 t -70.67 118.59 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.106 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.433 ' O ' ' HA ' ' A' ' 75' ' ' PRO . 0.3 OUTLIER -122.5 178.09 5.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.875 -179.878 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 28.2 p -126.97 128.22 46.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -65.66 172.21 3.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -107.67 -3.97 18.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.1 mtp180 -109.8 -38.45 5.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 16.6 p -118.08 -15.19 9.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.106 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 60.39 15.85 40.52 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.477 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 35.0 mmtm -77.34 152.3 81.39 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.596 0.712 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.433 ' HA ' ' O ' ' A' ' 67' ' ' SER . 53.9 Cg_endo -69.77 105.58 1.51 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.705 2.27 . . . . 0.0 112.365 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 20.6 pt -115.97 148.86 18.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -84.71 143.13 29.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.055 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.407 ' HA ' ' CD ' ' A' ' 48' ' ' GLN . 30.3 m -145.97 164.7 9.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.118 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 6.3 mmtp 46.83 48.19 15.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.807 HD11 ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -61.9 154.07 27.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.955 179.898 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.514 HG13 ' O ' ' A' ' 80' ' ' LEU . 5.2 m -158.47 126.05 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.762 ' HA ' HG12 ' A' ' 62' ' ' VAL . 25.4 tttp -65.09 124.08 21.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.938 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 5.2 mt -62.29 -48.94 86.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 71.7 p -95.89 152.33 18.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.817 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 136.02 86.39 0.21 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.527 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 162.4 42.19 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.663 2.242 . . . . 0.0 112.391 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 68.7 m -85.78 97.6 10.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.6 m -169.77 128.88 0.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.866 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.449 -179.998 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.4 p -91.57 95.43 9.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.861 0.363 . . . . 0.0 110.835 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.8 p -127.31 159.63 33.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.831 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.22 148.22 11.55 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.476 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.4 p -111.33 43.44 1.49 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.842 0.353 . . . . 0.0 110.855 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.7 t -79.25 166.59 21.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.826 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.79 -168.96 29.79 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.462 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 9' ' ' TYR . . . 141.37 -167.2 25.87 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.454 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.536 ' HA ' ' C ' ' A' ' 10' ' ' PRO . 4.8 p90 -35.98 154.18 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.67 0.748 . . . . 0.0 110.912 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 9' ' ' TYR . 53.8 Cg_endo -69.74 175.71 35.43 Favored 'Cis proline' 0 C--N 1.341 0.132 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.341 -0.069 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -90.29 -54.87 3.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -128.17 171.36 19.37 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.514 HG23 ' N ' ' A' ' 14' ' ' SER . 8.1 t -106.24 -47.55 3.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.811 0.339 . . . . 0.0 111.175 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.514 ' N ' HG23 ' A' ' 13' ' ' THR . 89.0 p -133.82 39.13 3.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -174.95 129.38 0.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.096 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -174.69 144.02 0.81 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.915 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -171.38 141.64 1.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.553 ' N ' HD22 ' A' ' 17' ' ' LEU . 28.2 mmm-85 -75.48 118.39 18.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -95.29 153.75 17.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.502 HG22 ' HG3' ' A' ' 63' ' ' GLU . 30.3 p -126.31 142.93 51.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.139 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -153.46 -131.41 1.59 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.492 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.46 ' CG1' ' HB3' ' A' ' 34' ' ' GLN . 9.4 p -151.79 149.05 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.813 0.339 . . . . 0.0 111.111 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.758 ' O ' HG13 ' A' ' 58' ' ' VAL . 3.4 mm -76.12 95.23 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -68.75 -47.02 67.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.457 ' HD3' ' N ' ' A' ' 26' ' ' LEU . 1.3 tmtt? -143.74 151.66 40.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.457 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 2.5 tp -140.74 138.51 34.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.487 ' N ' HD12 ' A' ' 27' ' ' LEU . 3.9 mp -126.15 -174.57 3.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.9 m -81.82 -18.5 43.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.202 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.7 t -105.33 -39.93 6.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -159.35 -175.41 5.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.951 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.493 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -154.16 161.81 30.23 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.503 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -106.14 147.29 29.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.861 0.363 . . . . 0.0 110.863 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.906 ' CD1' HD11 ' A' ' 80' ' ' LEU . 24.2 mt -125.63 115.52 43.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.112 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.46 ' HB3' ' CG1' ' A' ' 22' ' ' VAL . 2.0 tp-100 -73.42 109.41 6.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 72.1 m -64.42 132.18 49.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 68.3 m -96.53 3.78 52.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -107.58 -42.23 4.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.472 ' HB2' ' CZ ' ' A' ' 38' ' ' ARG . 3.3 ptm85 -105.33 -9.32 17.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 62.33 46.56 5.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -133.57 139.85 46.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.09 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.502 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 12.7 ptt85 -79.53 105.28 10.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.602 HD12 ' CE2' ' A' ' 64' ' ' PHE . 10.2 mt -82.55 170.97 14.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.519 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -126.36 103.94 7.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.617 ' HB3' HD12 ' A' ' 33' ' ' ILE . 1.8 p90 -99.43 139.69 34.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -93.77 141.46 28.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.478 ' HA ' HD21 ' A' ' 53' ' ' LEU . 17.3 p -50.08 -19.26 0.7 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 40.0 t -76.66 -33.44 58.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 49.0 mm-40 -61.63 -52.62 63.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.928 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -53.84 126.87 23.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.952 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -77.16 -46.63 22.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -60.66 -141.62 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.546 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -123.58 113.29 18.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.878 0.37 . . . . 0.0 110.848 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.478 HD21 ' HA ' ' A' ' 46' ' ' CYS . 3.4 mm? -39.13 -40.2 0.68 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.8 mm100 -46.62 -46.39 19.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.937 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -69.85 -37.43 76.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' A' ' 56' ' ' LEU . 10.2 tp -58.73 160.28 5.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.4 pttt -164.13 160.43 21.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.758 HG13 ' O ' ' A' ' 23' ' ' ILE . 90.1 t -76.08 128.13 37.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.145 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 105.09 16.7 15.84 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.505 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -121.61 139.33 53.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.834 0.35 . . . . 0.0 110.855 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.08 143.32 55.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.721 HG12 ' HA ' ' A' ' 82' ' ' LYS . 0.7 OUTLIER -152.35 144.24 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.502 ' HG3' HG22 ' A' ' 20' ' ' THR . 6.8 tt0 -101.02 136.97 40.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.861 ' CE1' HG21 ' A' ' 33' ' ' ILE . 14.6 p90 -148.82 176.74 10.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.916 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.664 ' O ' HG22 ' A' ' 78' ' ' VAL . 10.5 tt0 -122.42 121.57 36.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 86.5 t -72.66 124.03 28.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.15 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.9 t -133.54 177.32 7.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.858 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 71.2 m -109.82 132.63 53.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.871 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -68.27 171.59 6.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -108.5 3.26 22.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 73.4 mtm-85 -117.88 -40.73 2.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.925 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 19.9 p -118.01 -15.68 9.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.192 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 65.08 15.83 61.19 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.501 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.1 mmtp -78.11 152.64 79.52 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.578 0.704 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.428 ' O ' HD22 ' A' ' 42' ' ' LEU . 53.9 Cg_endo -69.78 101.12 0.88 Allowed 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.689 2.259 . . . . 0.0 112.33 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 10.0 pt -112.08 167.81 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -94.77 149.84 20.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.075 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.664 HG22 ' O ' ' A' ' 65' ' ' GLU . 27.1 m -149.24 158.48 6.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.159 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.6 mmtt 49.09 47.66 21.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.901 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.906 HD11 ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -61.01 153.49 25.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.917 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.462 ' O ' HG13 ' A' ' 81' ' ' VAL . 9.7 p -160.17 122.83 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.721 ' HA ' HG12 ' A' ' 62' ' ' VAL . 12.4 tttm -62.72 121.74 14.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.9 mt -58.92 -56.94 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.169 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 63.2 m -114.95 132.58 56.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 146.68 84.28 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.466 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 145.92 58.36 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.659 2.239 . . . . 0.0 112.353 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.2 t -86.49 121.18 28.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 84.1 p -155.14 152.39 29.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.498 -179.977 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.5 p -87.54 -46.44 9.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.879 0.371 . . . . 0.0 110.895 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.4 p -97.87 81.5 2.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.841 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.99 -168.56 37.84 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.468 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 m -104.34 95.01 5.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.912 0.387 . . . . 0.0 110.827 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -122.2 135.71 54.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.883 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.87 161.86 0.13 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.523 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 118.02 129.12 4.05 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.491 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.542 ' HA ' ' C ' ' A' ' 10' ' ' PRO . 4.0 m-85 -138.5 151.96 70.13 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.638 0.733 . . . . 0.0 110.901 -179.772 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 9' ' ' TYR . 53.5 Cg_endo -69.76 147.3 84.37 Favored 'Cis proline' 0 C--N 1.341 0.159 0 C-N-CA 122.738 -1.776 . . . . 0.0 112.315 -0.07 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 46.0 m-20 -56.85 152.55 12.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -70.14 86.3 0.31 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.506 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 90.6 m -114.23 146.28 40.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.793 0.33 . . . . 0.0 111.142 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 43.8 p -100.47 160.72 14.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.843 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -125.98 146.47 49.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.104 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -104.21 129.41 51.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.078 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.624 HD22 ' N ' ' A' ' 18' ' ' ARG . 1.5 tm? -112.47 118.74 36.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.624 ' N ' HD22 ' A' ' 17' ' ' LEU . 31.1 mmm-85 -77.93 122.26 25.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.471 ' CD ' ' CD1' ' A' ' 17' ' ' LEU . 12.1 mm-40 -97.21 151.47 19.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 34.2 p -117.84 141.42 48.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -148.57 -138.96 3.08 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.507 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.407 HG12 ' O ' ' A' ' 34' ' ' GLN . 7.4 p -150.99 139.24 14.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.79 0.329 . . . . 0.0 111.16 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.722 HD11 HG21 ' A' ' 62' ' ' VAL . 14.2 mm -66.23 90.5 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -63.42 -50.13 71.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.433 ' HD3' ' N ' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -142.2 155.42 45.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.943 179.906 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.433 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 2.5 tp -141.81 139.48 32.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.916 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.1 mp -126.81 -174.35 3.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.455 HG22 ' O ' ' A' ' 28' ' ' THR . 38.6 m -82.88 -13.12 56.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.099 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.9 m -111.42 -41.6 4.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -155.32 -175.01 5.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.587 ' O ' ' CD1' ' A' ' 44' ' ' PHE . . . -153.22 160.33 29.08 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.441 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -104.83 155.09 19.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.824 0.345 . . . . 0.0 110.904 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.794 ' CD1' HD11 ' A' ' 80' ' ' LEU . 33.2 mt -133.88 116.03 22.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.163 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.407 ' O ' HG12 ' A' ' 22' ' ' VAL . 5.5 tp60 -82.24 91.7 6.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.491 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 8.5 m -39.09 145.49 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.8 m -101.58 -8.38 21.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -104.63 -40.5 5.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.935 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.494 ' O ' ' NE2' ' A' ' 39' ' ' GLN . 11.2 ptm180 -104.94 6.62 33.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.494 ' NE2' ' O ' ' A' ' 38' ' ' ARG . 1.6 pp0? 37.02 49.29 0.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.942 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.417 ' HB3' ' CD ' ' A' ' 38' ' ' ARG . . . -124.67 135.92 53.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.07 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.9 mtt-85 -74.21 96.47 2.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.622 HD12 ' HE2' ' A' ' 64' ' ' PHE . 8.1 mt -83.2 170.11 15.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.468 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -128.05 111.33 13.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.922 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.711 ' HB3' HD12 ' A' ' 33' ' ' ILE . 2.1 p90 -107.24 141.3 38.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -94.46 141.92 28.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.848 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 12.8 p -53.61 -15.15 1.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.6 t -81.9 -29.18 32.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.818 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 58.4 mm-40 -64.04 -51.05 65.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.426 ' CE2' ' N ' ' A' ' 52' ' ' ASN . 16.3 t80 -53.76 123.43 12.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -76.4 -35.41 58.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.47 -136.73 0.12 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.485 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 53' ' ' LEU . 7.0 t-20 -129.97 110.51 11.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.822 0.344 . . . . 0.0 110.885 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 52' ' ' ASN . 2.6 mm? -34.16 -46.8 0.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 74.1 mm-40 -41.7 -49.26 4.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -65.05 -35.33 80.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.654 HD11 HG11 ' A' ' 62' ' ' VAL . 10.8 tp -69.3 162.24 27.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.1 pttt -162.7 162.85 27.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 25.2 t -74.53 122.31 27.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 104.72 21.71 8.96 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.482 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -121.75 144.84 48.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.826 0.346 . . . . 0.0 110.829 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.467 ' O ' HG13 ' A' ' 62' ' ' VAL . 1.3 m-20 -72.41 144.18 48.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.722 HG21 HD11 ' A' ' 23' ' ' ILE . 0.9 OUTLIER -157.18 142.47 8.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.129 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -97.29 138.21 35.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.653 ' HB3' HD12 ' A' ' 80' ' ' LEU . 4.7 p90 -148.46 176.78 10.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.565 ' O ' HG22 ' A' ' 78' ' ' VAL . 7.6 tp10 -122.66 119.16 29.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 80.3 t -72.56 119.15 18.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.119 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.1 t -131.68 177.78 7.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.6 t -109.86 138.81 45.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -75.97 167.12 22.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.855 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -103.19 -1.27 29.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -113.77 -40.64 3.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 56.4 p -114.66 -17.05 11.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.107 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 63.54 16.27 58.42 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.48 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 34.0 mttt -83.39 154.07 65.9 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.527 0.68 . . . . 0.0 110.934 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 99.33 0.74 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.665 2.243 . . . . 0.0 112.349 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 9.6 pt -110.27 164.75 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -92.48 144.29 25.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.565 HG22 ' O ' ' A' ' 65' ' ' GLU . 16.9 m -145.07 156.1 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.094 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.458 ' HE2' HG23 ' A' ' 78' ' ' VAL . 13.5 mtmm 52.69 50.55 17.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.794 HD11 ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -65.33 149.65 49.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.403 HG13 ' O ' ' A' ' 80' ' ' LEU . 30.0 m -156.79 130.51 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.661 ' HA ' HG12 ' A' ' 62' ' ' VAL . 6.5 tttm -65.44 132.86 50.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.0 mt -73.36 -58.69 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.16 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.5 t -60.06 128.95 39.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -139.29 81.87 0.26 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.465 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 139.23 39.76 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.724 2.283 . . . . 0.0 112.376 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.5 m -70.61 103.12 2.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.861 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.5 t -97.93 95.48 7.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.492 -179.928 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.1 p -123.07 168.12 12.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.926 0.393 . . . . 0.0 110.862 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.4 t -52.73 -46.74 67.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.49 167.1 14.15 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.519 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -92.0 81.9 5.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.861 0.362 . . . . 0.0 110.833 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.7 p -122.23 115.53 22.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.82 -170.21 0.44 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.506 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 114.49 -72.81 0.24 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.508 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.548 ' HA ' ' C ' ' A' ' 10' ' ' PRO . 20.5 p90 -148.79 152.69 37.85 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.721 0.772 . . . . 0.0 110.918 -179.814 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.548 ' C ' ' HA ' ' A' ' 9' ' ' TYR . 54.2 Cg_endo -69.73 154.07 93.08 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.36 -0.082 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.418 ' OD1' HG23 ' A' ' 13' ' ' THR . 15.1 t-20 -93.5 149.54 21.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -131.34 99.56 0.42 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.52 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.418 HG23 ' OD1' ' A' ' 11' ' ' ASN . 30.2 p -102.82 -61.72 1.37 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.824 0.345 . . . . 0.0 111.146 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 74.7 m -86.24 149.83 24.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.884 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -103.3 -8.95 19.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.126 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.29 122.01 15.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.048 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.669 HD22 ' N ' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -118.47 124.89 48.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.923 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.669 ' N ' HD22 ' A' ' 17' ' ' LEU . 10.7 mmm180 -85.11 133.42 34.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.455 ' HG2' ' CD1' ' A' ' 17' ' ' LEU . 22.0 mt-10 -110.45 152.71 25.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.4 p -123.21 148.53 45.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -151.52 -131.46 1.77 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.459 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.4 p -156.93 130.82 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.787 0.327 . . . . 0.0 111.142 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 1.012 HD11 HG21 ' A' ' 62' ' ' VAL . 27.7 mm -61.19 92.71 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -71.19 -41.01 70.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.482 ' HD3' ' N ' ' A' ' 26' ' ' LEU . 7.3 tmtm? -144.44 152.97 41.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.482 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 3.6 tp -145.84 136.84 24.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.462 ' N ' HD12 ' A' ' 27' ' ' LEU . 2.6 mp -129.57 -174.72 3.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.915 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 92.8 m -77.81 -31.07 51.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.154 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -89.38 -43.81 10.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.872 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -161.97 -178.66 6.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.938 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.515 ' O ' ' CD1' ' A' ' 44' ' ' PHE . . . -144.4 166.12 27.31 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.492 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -109.3 148.92 30.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.819 0.342 . . . . 0.0 110.883 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.83 ' CD1' HD11 ' A' ' 80' ' ' LEU . 37.1 mt -126.59 117.13 47.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.185 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -85.76 91.5 8.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.504 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 13.9 m -42.32 145.42 0.39 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.7 m -103.83 -3.95 24.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -106.62 -41.27 5.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.916 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.509 ' O ' ' CG ' ' A' ' 39' ' ' GLN . 14.7 ptp180 -102.06 -2.9 28.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.509 ' CG ' ' O ' ' A' ' 38' ' ' ARG . 15.6 pt20 47.76 43.08 16.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.948 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.65 134.97 54.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 34.4 mtm180 -74.29 98.75 3.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.803 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.506 HD12 ' CE1' ' A' ' 64' ' ' PHE . 11.2 mt -85.5 161.77 19.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.495 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -122.19 110.26 15.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.911 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.623 ' HB3' HD12 ' A' ' 33' ' ' ILE . 2.5 p90 -104.82 140.33 38.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -94.13 141.18 28.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.454 ' HA ' HD21 ' A' ' 53' ' ' LEU . 6.6 p -51.66 -19.72 1.7 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 48.2 t -76.08 -33.11 59.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 58.8 mm-40 -61.02 -51.33 69.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.462 ' HD2' HD22 ' A' ' 53' ' ' LEU . 20.3 t80 -53.52 130.09 34.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -79.47 -46.11 18.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -63.35 -139.41 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.485 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' ' 53' ' ' LEU . 4.4 m120 -124.7 110.5 14.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.836 0.351 . . . . 0.0 110.899 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.462 HD22 ' HD2' ' A' ' 49' ' ' TYR . 4.1 mm? -34.25 -38.86 0.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.919 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 19.6 mm100 -45.89 -50.04 14.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -64.3 -37.5 87.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.754 HD11 HG11 ' A' ' 62' ' ' VAL . 10.9 tp -63.98 155.45 30.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.2 pttt -158.27 162.86 37.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.551 HG13 ' O ' ' A' ' 23' ' ' ILE . 52.9 t -75.32 129.13 37.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.12 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.7 19.89 18.68 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -120.14 154.72 34.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.813 0.339 . . . . 0.0 110.857 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -82.45 141.99 32.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.805 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 1.012 HG21 HD11 ' A' ' 23' ' ' ILE . 0.7 OUTLIER -153.67 143.02 14.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -99.59 133.97 43.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.781 ' CE2' HG21 ' A' ' 33' ' ' ILE . 25.5 p90 -143.0 174.49 10.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.67 ' O ' HG22 ' A' ' 78' ' ' VAL . 7.9 tp10 -121.01 119.58 32.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 98.3 t -72.68 126.43 33.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.17 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.1 t -134.14 176.55 8.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.834 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.4 p -114.13 107.86 16.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.868 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.431 ' HA ' ' NH2' ' A' ' 70' ' ' ARG . 28.7 t70 -49.23 168.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.854 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.431 ' NH2' ' HA ' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -105.72 -16.73 14.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.903 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 49.0 mmt-85 -94.89 -52.4 4.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 45.6 p -100.44 -21.52 15.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 66.3 16.68 65.19 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.7 mtmt -87.43 154.59 54.05 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.605 0.717 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.77 101.91 0.97 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.696 2.264 . . . . 0.0 112.316 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.0 pt -115.59 163.38 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.171 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -92.13 146.67 23.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.67 HG22 ' O ' ' A' ' 65' ' ' GLU . 10.4 m -143.06 161.59 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.445 ' O ' ' NH2' ' A' ' 18' ' ' ARG . 12.3 mtmm 46.4 50.06 12.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.859 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.83 HD11 ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -61.05 147.45 43.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.952 179.883 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 81' ' ' VAL . 20.2 m -155.12 120.54 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.165 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.66 ' HA ' HG12 ' A' ' 62' ' ' VAL . 14.3 tttt -59.64 131.35 50.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.5 mt -70.9 -56.31 11.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.137 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 86.5 p -99.43 125.42 45.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -152.26 86.87 0.14 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.521 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 98.78 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.743 2.295 . . . . 0.0 112.373 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.3 t -72.97 140.33 47.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.844 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 53.3 p -54.24 143.07 24.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.832 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.527 -179.943 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.4 t -62.99 89.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.362 . . . . 0.0 110.815 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.0 m 54.99 45.47 26.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.82 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.28 147.83 6.9 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.466 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -99.34 90.94 4.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.883 0.373 . . . . 0.0 110.881 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.6 p -79.33 -53.59 6.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.861 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.26 125.84 5.17 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.516 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 134.72 140.38 4.24 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.524 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.533 ' HA ' ' C ' ' A' ' 10' ' ' PRO . 15.5 p90 -79.85 155.14 75.63 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.651 0.739 . . . . 0.0 110.906 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 9' ' ' TYR . 54.5 Cg_endo -69.71 134.71 30.42 Favored 'Cis proline' 0 C--N 1.341 0.161 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.369 -0.169 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -54.48 -48.08 72.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -175.63 -168.36 35.91 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.481 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 41.8 p -57.51 163.04 2.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.813 0.34 . . . . 0.0 111.099 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 93.8 p -125.61 120.2 30.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.47 139.02 41.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.079 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -39.71 153.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.801 HD22 ' C ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -152.97 155.76 37.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.428 ' N ' HD22 ' A' ' 17' ' ' LEU . 37.9 mmm-85 -78.21 124.07 27.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.618 ' CD ' HD21 ' A' ' 17' ' ' LEU . 18.3 mm-40 -103.38 154.81 19.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 53.5 p -122.68 139.99 53.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.108 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -149.44 -134.71 2.37 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.48 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.513 ' O ' ' N ' ' A' ' 34' ' ' GLN . 9.8 p -152.35 144.31 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.804 0.335 . . . . 0.0 111.123 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.837 HD13 HG12 ' A' ' 33' ' ' ILE . 9.9 mm -74.47 94.08 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.181 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -70.13 -44.08 69.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.606 ' HD2' HD11 ' A' ' 27' ' ' LEU . 8.2 tmtm? -141.29 150.73 42.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.477 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 2.5 tp -144.62 139.84 28.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.939 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.606 HD11 ' HD2' ' A' ' 25' ' ' LYS . 4.7 mp -133.92 -175.69 3.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.2 m -77.22 -28.67 53.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.6 m -91.07 -42.07 10.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.821 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -164.59 -176.56 4.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.936 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.583 ' O ' ' CD1' ' A' ' 44' ' ' PHE . . . -153.04 162.04 29.91 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.531 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -102.54 158.26 16.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.827 0.346 . . . . 0.0 110.887 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.903 HG21 ' CE1' ' A' ' 64' ' ' PHE . 46.2 mt -137.45 107.94 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.072 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.513 ' N ' ' O ' ' A' ' 22' ' ' VAL . 2.1 tp-100 -71.96 101.5 2.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.501 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 1.1 t -52.34 140.42 21.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 73.4 m -96.04 8.43 43.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -121.4 -40.46 2.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.612 ' CD ' ' HB3' ' A' ' 40' ' ' ALA . 5.9 ptm180 -102.44 -1.87 29.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 46.33 52.08 10.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.612 ' HB3' ' CD ' ' A' ' 38' ' ' ARG . . . -136.09 132.92 36.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.502 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 16.0 ptt85 -73.98 100.35 3.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.863 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.588 HD12 ' CE2' ' A' ' 64' ' ' PHE . 12.6 mt -81.1 167.87 19.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.48 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -120.78 104.61 10.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.583 ' CD1' ' O ' ' A' ' 31' ' ' GLY . 1.9 p90 -103.36 136.5 43.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.88 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -87.71 139.28 30.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 30.6 m -52.9 -15.77 0.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 40.5 t -78.89 -32.59 45.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.9 mm-40 -60.82 -53.09 61.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.926 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.431 ' HD2' HD22 ' A' ' 53' ' ' LEU . 13.9 t80 -50.44 124.78 11.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -78.74 -38.59 38.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.84 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -64.74 -138.56 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.505 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' ' 53' ' ' LEU . 3.6 p-10 -128.32 111.87 13.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.885 0.374 . . . . 0.0 110.886 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 52' ' ' ASN . 4.1 mm? -34.23 -42.78 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -44.52 -49.53 9.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -67.2 -37.27 83.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.818 HD11 HG11 ' A' ' 62' ' ' VAL . 11.0 tp -67.98 149.01 50.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.9 pttt -156.29 164.57 38.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.68 HG13 ' O ' ' A' ' 23' ' ' ILE . 85.4 t -75.23 118.86 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.106 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 110.51 19.83 7.69 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.512 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -122.14 139.76 53.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.783 0.325 . . . . 0.0 110.876 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -67.4 138.6 56.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.818 HG11 HD11 ' A' ' 56' ' ' LEU . 1.6 m -151.85 141.69 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.158 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.442 ' HB3' HG23 ' A' ' 81' ' ' VAL . 6.7 tt0 -98.84 132.24 44.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.903 ' CE1' HG21 ' A' ' 33' ' ' ILE . 20.0 p90 -141.92 176.78 8.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.837 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.437 ' O ' HG22 ' A' ' 78' ' ' VAL . 5.3 tp10 -122.27 127.69 50.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.863 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 90.8 t -80.4 115.9 23.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.13 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.8 m -127.6 178.98 5.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 41.7 p -112.39 135.89 52.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -71.25 168.98 16.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.846 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -99.57 2.5 44.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 32.6 mtp180 -117.16 -49.91 2.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.406 ' OG1' ' CG ' ' A' ' 74' ' ' LYS . 11.6 p -110.56 -12.33 14.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.168 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 60.86 10.68 20.44 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.482 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.406 ' CG ' ' OG1' ' A' ' 72' ' ' THR . 17.9 mmtp -68.09 152.08 96.73 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.574 0.702 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.427 ' O ' HD22 ' A' ' 42' ' ' LEU . 53.4 Cg_endo -69.76 100.21 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.663 2.242 . . . . 0.0 112.357 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 10.9 pt -112.51 165.47 7.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.189 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -92.31 148.55 22.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.437 HG22 ' O ' ' A' ' 65' ' ' GLU . 28.2 m -149.74 157.39 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.122 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.406 ' HE3' HG23 ' A' ' 78' ' ' VAL . 23.3 mtmt 51.36 47.05 25.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.843 HD11 ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -59.7 152.52 22.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.905 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.593 HG13 ' O ' ' A' ' 80' ' ' LEU . 13.5 m -161.35 120.73 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.11 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.665 ' HA ' HG12 ' A' ' 62' ' ' VAL . 22.1 tttt -60.14 128.19 35.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.5 mt -66.08 -52.95 42.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.7 t -142.27 112.91 7.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -170.01 122.23 0.98 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.453 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 159.34 53.77 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.647 2.232 . . . . 0.0 112.347 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 33.0 p -72.5 -48.63 39.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 92.2 p -127.59 161.97 27.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.863 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.512 -179.981 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -39.39 150.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.872 0.368 . . . . 0.0 110.891 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.5 p -109.21 -17.33 13.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.07 115.42 2.32 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.502 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.68 81.85 0.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.905 0.383 . . . . 0.0 110.877 -179.762 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.8 t -50.66 150.84 2.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.814 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.43 102.69 0.24 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.435 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 103.72 -43.63 1.64 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.516 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.507 ' HA ' ' C ' ' A' ' 10' ' ' PRO . 4.6 m-85 -59.09 160.85 10.5 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.675 0.75 . . . . 0.0 110.936 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 9' ' ' TYR . 54.2 Cg_endo -69.71 138.96 51.66 Favored 'Cis proline' 0 C--N 1.341 0.137 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.354 -0.071 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -135.2 115.14 13.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 13' ' ' THR . . . -79.92 49.42 3.71 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.492 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.438 ' C ' ' O ' ' A' ' 12' ' ' GLY . 29.6 p -34.8 -56.38 0.55 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.824 0.345 . . . . 0.0 111.163 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.1 t -81.75 159.63 23.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.66 -8.85 38.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.096 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.53 171.59 0.43 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.104 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.651 HD22 ' N ' ' A' ' 18' ' ' ARG . 1.3 tm? -156.26 118.33 4.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.651 ' N ' HD22 ' A' ' 17' ' ' LEU . 26.7 mmm-85 -72.56 120.54 18.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -103.03 154.35 19.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 39.3 p -120.52 142.49 49.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.161 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -151.05 -136.04 2.44 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.497 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.487 HG12 ' O ' ' A' ' 34' ' ' GLN . 9.9 p -151.47 146.02 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.76 0.314 . . . . 0.0 111.151 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.871 HD13 HG12 ' A' ' 33' ' ' ILE . 13.9 mm -79.0 95.92 2.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -71.38 -46.3 60.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.47 ' HD3' ' N ' ' A' ' 26' ' ' LEU . 0.5 OUTLIER -136.11 154.32 51.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.47 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 4.5 tp -146.13 136.15 23.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.944 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.401 HD12 ' N ' ' A' ' 27' ' ' LEU . 3.6 mp -127.65 -175.48 3.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.5 m -80.31 -25.78 39.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.119 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.0 t -96.0 -37.98 10.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -163.21 -176.32 4.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.556 ' O ' ' CD1' ' A' ' 44' ' ' PHE . . . -150.25 162.74 29.33 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.492 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -106.12 150.24 26.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.779 0.323 . . . . 0.0 110.886 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.872 HG21 ' CE1' ' A' ' 64' ' ' PHE . 30.4 mt -129.82 113.31 26.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.487 ' O ' HG12 ' A' ' 22' ' ' VAL . 0.7 OUTLIER -77.43 101.74 6.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 6.9 m -53.86 147.51 11.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.4 m -111.07 -4.7 14.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -104.03 -41.8 5.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -100.37 -10.67 20.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 59.47 49.03 9.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -137.18 136.14 37.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.113 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.2 mtm180 -74.21 104.67 5.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.565 HD12 ' HE2' ' A' ' 64' ' ' PHE . 10.3 mt -86.62 160.94 18.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.513 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -118.15 106.6 13.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 179.919 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.747 ' HB3' HD12 ' A' ' 33' ' ' ILE . 2.3 p90 -101.88 140.97 35.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -94.56 139.79 30.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 21.1 m -51.61 -20.95 2.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 40.2 t -75.29 -32.65 61.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.8 mm-40 -60.95 -53.34 58.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.936 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -52.0 120.22 5.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 -74.5 -38.17 62.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -63.81 -142.01 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.477 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.43 ' O ' ' C ' ' A' ' 53' ' ' LEU . 1.3 p-10 -125.2 112.96 17.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.828 0.347 . . . . 0.0 110.921 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' A' ' 52' ' ' ASN . 4.0 mm? -35.87 -38.67 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.957 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -47.78 -48.79 30.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.25 -35.09 75.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.889 HD11 HG11 ' A' ' 62' ' ' VAL . 10.4 tp -69.99 152.94 43.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.438 ' CG ' ' OD2' ' A' ' 60' ' ' ASP . 12.0 ptpt -157.75 176.7 12.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.574 HG13 ' O ' ' A' ' 23' ' ' ILE . 86.8 t -87.97 123.49 40.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.127 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 103.74 21.37 9.76 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.535 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.438 ' OD2' ' CG ' ' A' ' 57' ' ' LYS . 45.1 m-20 -121.7 145.92 47.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.833 0.349 . . . . 0.0 110.829 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.528 ' HB3' HD12 ' A' ' 83' ' ' ILE . 0.9 OUTLIER -71.54 137.27 47.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.889 HG11 HD11 ' A' ' 56' ' ' LEU . 1.6 m -151.34 141.84 15.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.435 ' HB3' HG23 ' A' ' 81' ' ' VAL . 5.9 tt0 -99.97 133.77 43.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.872 ' CE1' HG21 ' A' ' 33' ' ' ILE . 13.7 p90 -141.96 176.74 8.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.716 ' O ' HG22 ' A' ' 78' ' ' VAL . 2.8 tt0 -122.86 119.67 31.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 67.0 t -72.41 119.84 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.108 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' A' ' 75' ' ' PRO . 2.1 m -123.7 176.37 6.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 53.5 p -115.32 108.81 17.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -47.32 173.93 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.582 ' HE ' ' N ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -111.69 -12.88 13.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.941 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.3 mmt85 -98.61 -46.71 5.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 58.4 p -109.51 -16.22 14.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.186 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 64.0 15.79 58.77 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.0 mmtm -82.51 152.6 67.29 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.559 0.695 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.406 ' HA ' ' O ' ' A' ' 67' ' ' SER . 53.9 Cg_endo -69.73 107.89 1.95 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.667 2.245 . . . . 0.0 112.382 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 12.1 pt -119.89 166.34 14.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.198 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.56 150.42 21.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.716 HG22 ' O ' ' A' ' 65' ' ' GLU . 31.6 m -151.69 154.52 8.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 22.5 mttt 52.1 46.07 27.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.807 HD11 ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -57.91 152.28 16.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.939 179.928 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.435 HG23 ' HB3' ' A' ' 63' ' ' GLU . 0.1 OUTLIER -156.87 123.37 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.164 179.866 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.735 ' HA ' HG12 ' A' ' 62' ' ' VAL . 15.5 tttp -63.9 125.99 26.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.528 HD12 ' HB3' ' A' ' 61' ' ' ASP . 3.8 mt -66.14 -51.49 59.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.168 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 87.8 p -99.61 111.51 23.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -165.1 76.49 0.15 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.463 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 176.91 6.17 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.683 2.255 . . . . 0.0 112.32 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 80.6 p -110.85 155.33 22.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 91.4 p -93.53 143.47 26.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.484 -179.994 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.2 t -141.47 171.5 13.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.898 0.38 . . . . 0.0 110.857 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.6 m -66.69 -48.92 67.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.98 59.89 2.86 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.486 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.3 m 47.51 45.2 17.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.914 0.387 . . . . 0.0 110.88 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.3 p -116.57 42.16 2.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.13 164.74 46.34 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.541 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -98.79 109.52 3.81 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.474 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.508 ' HA ' ' C ' ' A' ' 10' ' ' PRO . 1.8 p90 -148.61 158.03 40.61 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.679 0.752 . . . . 0.0 110.923 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.508 ' C ' ' HA ' ' A' ' 9' ' ' TYR . 54.3 Cg_endo -69.71 171.9 51.33 Favored 'Cis proline' 0 C--N 1.342 0.192 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.383 -0.1 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.424 ' C ' ' OD1' ' A' ' 11' ' ' ASN . 17.6 t-20 -85.36 123.34 30.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.955 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 153.65 -155.25 26.04 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.488 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 19.8 m -68.2 123.95 22.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.825 0.345 . . . . 0.0 111.085 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.0 m -133.01 149.75 52.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.83 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.19 -8.85 13.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.079 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -105.56 166.58 10.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.119 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.693 HD13 ' O ' ' A' ' 17' ' ' LEU . 1.3 tm? -164.75 110.22 0.96 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.937 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.467 ' N ' HD22 ' A' ' 17' ' ' LEU . 26.5 mmm-85 -74.74 121.37 21.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.475 ' HG2' ' CD1' ' A' ' 17' ' ' LEU . 12.6 mt-10 -95.55 154.73 17.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 20.9 p -126.11 140.77 52.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -151.42 -130.27 1.64 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.491 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.9 p -153.14 143.33 14.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.782 0.325 . . . . 0.0 111.13 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.559 ' O ' HG13 ' A' ' 58' ' ' VAL . 4.1 mm -68.28 94.98 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.451 ' OE1' ' CB ' ' A' ' 34' ' ' GLN . 15.4 tp10 -68.02 -48.54 65.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -141.19 153.33 45.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.0 tp -143.04 138.5 30.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.983 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.8 mp -126.5 -175.01 3.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 55.9 m -80.63 -16.69 53.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.3 m -106.47 -39.3 5.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -162.39 -178.97 6.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.592 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -148.11 161.44 28.59 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.467 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.445 ' CE2' ' HB2' ' A' ' 43' ' ' PHE . 71.0 m-85 -107.02 146.17 31.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.786 0.327 . . . . 0.0 110.894 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.795 ' CD1' HD11 ' A' ' 80' ' ' LEU . 19.5 mt -123.06 119.77 58.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.123 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.451 ' CB ' ' OE1' ' A' ' 24' ' ' GLU . 2.5 tp60 -79.83 103.89 10.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.495 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 69.0 m -59.92 116.05 3.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.2 m -80.88 5.96 14.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -108.91 -45.15 3.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.926 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.643 ' HD3' ' HB3' ' A' ' 40' ' ' ALA . 7.2 ptm180 -98.4 -10.52 23.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.902 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 63.12 45.91 4.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.643 ' HB3' ' HD3' ' A' ' 38' ' ' ARG . . . -135.96 143.5 44.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.082 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.508 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 10.2 ptt85 -84.59 104.71 14.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.651 HD12 ' CE1' ' A' ' 64' ' ' PHE . 10.8 mt -83.71 172.15 12.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.544 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -127.02 106.17 9.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.875 179.897 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.592 ' CD2' ' O ' ' A' ' 31' ' ' GLY . 1.8 p90 -101.5 140.41 35.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -94.56 140.98 29.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.829 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.469 ' HA ' HD21 ' A' ' 53' ' ' LEU . 16.2 p -51.99 -19.08 1.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 35.0 t -78.08 -31.31 50.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -62.67 -50.41 71.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.931 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.487 ' HD2' HD22 ' A' ' 53' ' ' LEU . 11.6 t80 -55.1 127.6 29.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.932 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -77.76 -36.29 50.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -73.07 -142.56 0.53 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.46 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -122.21 118.95 29.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.798 0.332 . . . . 0.0 110.908 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.487 HD22 ' HD2' ' A' ' 49' ' ' TYR . 4.0 mm? -44.7 -33.31 1.8 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.936 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -52.53 -41.77 63.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -73.01 -36.11 66.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.644 HD11 HG11 ' A' ' 62' ' ' VAL . 11.2 tp -65.35 163.56 15.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.0 ptmm? -167.34 162.16 14.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.854 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.559 HG13 ' O ' ' A' ' 23' ' ' ILE . 42.9 t -76.51 118.35 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 114.48 16.69 7.47 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.495 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -122.41 147.64 46.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.823 0.344 . . . . 0.0 110.843 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.53 143.85 44.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.652 HG12 ' HA ' ' A' ' 82' ' ' LYS . 0.3 OUTLIER -154.44 142.92 13.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.656 ' HB3' HG23 ' A' ' 81' ' ' VAL . 6.6 tt0 -97.93 137.5 36.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.651 ' CE1' HD12 ' A' ' 42' ' ' LEU . 39.2 p90 -147.9 176.69 9.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.455 ' O ' HG22 ' A' ' 78' ' ' VAL . 7.6 tp10 -123.13 129.01 50.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 84.8 t -80.25 117.55 26.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.168 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.1 t -132.05 176.51 8.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.7 p -109.47 133.46 53.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -67.24 169.36 8.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -102.33 -0.11 33.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.856 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.4 mmm180 -117.65 -40.31 3.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 67.3 p -117.4 -9.84 10.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 54.95 19.76 16.46 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.479 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.2 mmmt -79.1 153.34 77.22 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.563 0.697 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.458 ' O ' HD22 ' A' ' 42' ' ' LEU . 54.2 Cg_endo -69.76 95.91 0.57 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.673 2.248 . . . . 0.0 112.37 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 9.4 pt -110.17 168.61 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -94.25 153.12 18.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' ' 65' ' ' GLU . 27.0 m -152.84 157.89 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.119 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.4 mmpt? 50.76 48.13 23.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.795 HD11 ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -60.7 157.25 15.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.878 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.735 HG13 ' O ' ' A' ' 80' ' ' LEU . 3.4 m -164.85 122.47 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.092 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.652 ' HA ' HG12 ' A' ' 62' ' ' VAL . 25.4 tttt -61.96 124.41 20.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.3 mt -63.8 -51.38 70.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 25.6 t -103.18 109.55 21.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 176.73 71.46 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.5 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 3.51 2.69 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.685 2.257 . . . . 0.0 112.365 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 25.2 m 60.77 44.39 11.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.817 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.0 m -97.54 143.06 28.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.523 179.962 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 . . . . . 0 N--CA 1.458 -0.054 0 CA-C-O 120.776 0.322 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.673 ' OE1' HG21 ' A' ' 66' ' ' VAL . 13.0 mt-10 -106.08 154.14 21.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.1 p -129.64 138.64 51.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.131 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -149.05 -124.59 1.35 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.494 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.8 p -158.01 151.28 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.848 0.356 . . . . 0.0 111.118 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.496 HD13 HG12 ' A' ' 33' ' ' ILE . 8.5 mm -78.81 93.2 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.145 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -69.18 -48.18 62.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.456 ' HD3' ' N ' ' A' ' 26' ' ' LEU . 6.6 tmtm? -135.62 152.07 50.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.456 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 2.6 tp -145.5 138.77 26.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.454 ' N ' HD12 ' A' ' 27' ' ' LEU . 3.1 mp -131.49 -177.41 4.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.958 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 88.2 m -76.54 -25.41 54.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 t -94.81 -40.64 9.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.833 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -165.54 -175.02 3.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.418 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -150.24 166.09 29.98 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.521 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.401 ' CD1' ' N ' ' A' ' 32' ' ' PHE . 6.4 m-85 -111.37 143.5 42.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.825 0.345 . . . . 0.0 110.905 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.944 ' CD1' HD11 ' A' ' 80' ' ' LEU . 21.9 mt -120.05 117.8 54.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.42 103.0 7.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.921 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.49 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 74.3 m -60.1 117.36 5.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.8 m -85.9 10.79 12.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -112.41 -42.32 3.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.49 ' HG2' ' CB ' ' A' ' 35' ' ' CYS . 3.1 ptm85 -102.62 -7.22 21.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 63.08 38.86 10.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -130.16 144.25 51.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.09 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.501 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 8.8 ptt85 -85.76 110.51 19.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.634 HD12 ' CE2' ' A' ' 64' ' ' PHE . 10.4 mt -88.9 166.76 13.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.544 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -123.25 103.78 8.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.583 ' HB3' HD12 ' A' ' 33' ' ' ILE . 2.3 p90 -98.74 139.48 34.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -92.95 141.8 28.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.83 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 14.0 p -49.11 -21.8 0.81 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.1 t -75.65 -33.02 60.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 42.0 mm-40 -58.87 -53.45 58.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.464 ' HD2' HD22 ' A' ' 53' ' ' LEU . 21.2 t80 -52.96 124.07 13.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.468 ' ND2' HG12 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -76.28 -41.73 47.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -66.63 -140.44 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.479 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 53' ' ' LEU . 1.4 p-10 -124.23 111.91 16.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.891 0.376 . . . . 0.0 110.86 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.464 HD22 ' HD2' ' A' ' 49' ' ' TYR . 4.1 mm? -36.87 -36.33 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.931 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.9 mm100 -46.55 -48.16 19.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -68.18 -38.08 81.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.687 HD11 HG11 ' A' ' 62' ' ' VAL . 10.7 tp -63.1 158.55 19.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.941 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -161.14 165.03 30.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.486 ' HA ' HG22 ' A' ' 23' ' ' ILE . 39.4 t -77.97 114.49 18.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 114.64 21.73 5.32 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.476 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -125.41 139.35 53.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.851 0.358 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -66.86 145.85 55.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.687 HG11 HD11 ' A' ' 56' ' ' LEU . 0.6 OUTLIER -154.81 142.39 12.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.092 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.561 ' HB3' HG23 ' A' ' 81' ' ' VAL . 6.6 tt0 -97.32 136.61 37.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.929 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.844 ' CE1' HG21 ' A' ' 33' ' ' ILE . 18.2 p90 -147.88 176.33 10.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.491 ' O ' HG22 ' A' ' 78' ' ' VAL . 7.5 tp10 -121.4 122.15 39.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.673 HG21 ' OE1' ' A' ' 19' ' ' GLU . 96.5 t -73.71 119.85 21.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.151 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.413 ' O ' ' HA ' ' A' ' 75' ' ' PRO . 1.7 m -127.4 176.97 7.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.82 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.9 m -117.53 119.76 36.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -58.06 174.7 0.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.836 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.588 ' HE ' ' N ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -112.23 -12.05 13.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.883 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.1 mtm105 -99.74 -37.9 8.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 18.4 p -118.54 -16.46 9.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.159 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 63.22 16.99 58.67 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.462 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.6 mmtp -83.27 152.0 63.83 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.581 0.705 . . . . 0.0 110.936 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.413 ' HA ' ' O ' ' A' ' 67' ' ' SER . 53.6 Cg_endo -69.78 102.59 1.05 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.724 2.283 . . . . 0.0 112.317 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.2 pt -116.3 158.19 16.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.116 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -86.47 153.64 21.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.054 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.491 HG22 ' O ' ' A' ' 65' ' ' GLU . 27.4 m -151.48 159.56 4.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.17 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? 47.05 48.26 15.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.944 HD11 ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -59.51 150.42 26.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.948 179.89 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.561 HG23 ' HB3' ' A' ' 63' ' ' GLU . 5.8 m -156.74 121.89 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.682 ' HA ' HG12 ' A' ' 62' ' ' VAL . 22.6 tttt -58.52 131.07 49.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.9 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.119 179.866 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.8 mmm-85 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.79 0.328 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -95.89 154.81 17.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.481 HG22 ' HG3' ' A' ' 63' ' ' GLU . 24.4 p -122.94 145.26 48.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.107 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -151.24 -133.63 2.06 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.493 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.8 p -154.08 136.92 7.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.818 0.342 . . . . 0.0 111.14 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.861 HD13 HG12 ' A' ' 33' ' ' ILE . 22.6 mm -68.8 92.68 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.144 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -69.61 -39.41 77.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.462 ' HD3' ' N ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -142.49 154.54 44.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.462 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 4.3 tp -147.77 136.2 21.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.407 ' N ' HD12 ' A' ' 27' ' ' LEU . 4.2 mp -127.53 -175.08 3.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 43.0 m -78.47 -28.5 46.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.185 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.4 m -92.8 -41.3 10.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -161.65 -176.22 5.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.93 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.513 ' O ' ' CD1' ' A' ' 44' ' ' PHE . . . -148.26 166.13 29.02 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.483 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -107.56 155.65 19.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.827 0.346 . . . . 0.0 110.873 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.887 HG21 ' CE1' ' A' ' 64' ' ' PHE . 27.6 mt -135.42 112.99 14.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.15 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -79.72 94.7 5.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.485 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 84.9 m -42.69 135.46 2.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.5 m -97.1 1.69 50.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.874 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -110.05 -41.31 4.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.485 ' HG2' ' CB ' ' A' ' 35' ' ' CYS . 9.4 ptm180 -103.72 -1.49 27.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.44 ' OE1' ' C ' ' A' ' 38' ' ' ARG . 3.2 mp0 51.12 47.86 24.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.959 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.402 ' HB3' ' CD ' ' A' ' 38' ' ' ARG . . . -127.68 144.67 51.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.078 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.6 mtt180 -84.25 100.28 11.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.585 HD12 ' HE2' ' A' ' 64' ' ' PHE . 8.4 mt -85.15 168.34 14.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.547 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -126.61 106.6 9.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.74 ' HB3' HD12 ' A' ' 33' ' ' ILE . 2.4 p90 -101.53 140.17 36.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -93.1 140.72 29.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 8.7 p -53.17 -15.67 0.97 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.906 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.7 m -80.77 -31.44 35.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 66.1 mm-40 -63.12 -49.67 73.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.494 ' HD2' HD22 ' A' ' 53' ' ' LEU . 14.1 t80 -52.61 127.77 23.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.951 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -82.84 -32.14 27.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.855 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.14 -133.8 0.16 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.46 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.485 ' N ' ' OD1' ' A' ' 52' ' ' ASN . 0.5 OUTLIER -131.91 110.59 10.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.895 0.379 . . . . 0.0 110.866 -179.909 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.494 HD22 ' HD2' ' A' ' 49' ' ' TYR . 4.1 mm? -39.49 -47.01 1.8 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.47 ' CG ' ' HB2' ' A' ' 52' ' ' ASN . 7.5 pt20 -43.66 -42.41 5.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -73.34 -34.88 65.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.457 HD11 HG11 ' A' ' 62' ' ' VAL . 11.1 tp -65.6 162.64 17.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.3 pttt -162.48 159.74 25.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.75 HG13 ' O ' ' A' ' 23' ' ' ILE . 99.7 t -74.75 120.25 23.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 112.79 16.4 8.63 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.488 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -120.5 141.29 50.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.825 0.345 . . . . 0.0 110.878 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.428 ' O ' HG13 ' A' ' 62' ' ' VAL . 1.8 m-20 -68.88 144.87 54.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.722 HG12 ' HA ' ' A' ' 82' ' ' LYS . 0.5 OUTLIER -156.03 142.25 10.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.481 ' HG3' HG22 ' A' ' 20' ' ' THR . 9.1 tt0 -97.72 136.71 37.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.887 ' CE1' HG21 ' A' ' 33' ' ' ILE . 13.6 p90 -148.27 176.66 10.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.859 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.59 ' O ' HG22 ' A' ' 78' ' ' VAL . 1.5 tt0 -121.44 121.55 37.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.463 HG22 HD11 ' A' ' 42' ' ' LEU . 86.8 t -73.17 123.17 27.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.107 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.7 t -133.66 178.89 6.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 73.6 m -114.8 134.73 54.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.812 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -70.42 176.57 3.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.839 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -108.75 -8.57 15.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.0 mtm180 -112.53 -27.35 8.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 45.5 p -126.26 -13.89 6.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.142 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 54.43 13.92 4.38 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.488 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.0 mmtp -75.57 152.86 85.47 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.568 0.699 . . . . 0.0 110.915 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.479 ' O ' HD22 ' A' ' 42' ' ' LEU . 53.7 Cg_endo -69.71 95.46 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.726 2.284 . . . . 0.0 112.326 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 10.2 pt -107.8 163.28 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.137 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -93.89 143.29 26.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.59 HG22 ' O ' ' A' ' 65' ' ' GLU . 30.2 m -142.23 166.84 15.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.081 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? 43.73 51.24 6.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.836 HD11 ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -64.73 153.07 40.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.922 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 81' ' ' VAL . 33.7 m -157.97 125.51 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.172 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.722 ' HA ' HG12 ' A' ' 62' ' ' VAL . 10.7 tttp -64.45 123.2 18.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.9 mt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.091 179.908 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.7 mmm-85 . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.742 0.306 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -98.37 153.94 18.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.2 p -122.75 140.74 52.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.145 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -149.62 -132.12 2.02 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.482 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.41 ' O ' ' N ' ' A' ' 34' ' ' GLN . 2.7 p -154.31 141.0 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.865 0.364 . . . . 0.0 111.1 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.76 HD13 HG12 ' A' ' 33' ' ' ILE . 5.6 mm -70.62 93.53 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.168 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -67.45 -43.6 80.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.519 ' HD2' HD11 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -140.41 154.79 46.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.909 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.483 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 3.5 tp -146.63 138.15 24.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.944 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.519 HD11 ' HD2' ' A' ' 25' ' ' LYS . 4.8 mp -132.92 -177.56 4.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 46.2 m -76.44 -28.64 56.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.158 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.1 m -90.42 -42.54 10.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.845 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -162.74 -175.55 4.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.875 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.572 ' O ' ' CD1' ' A' ' 44' ' ' PHE . . . -149.45 162.87 29.15 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.505 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -105.91 159.99 15.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.837 0.351 . . . . 0.0 110.888 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.786 ' CD1' HD11 ' A' ' 80' ' ' LEU . 25.0 mt -139.18 113.42 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.153 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.41 ' N ' ' O ' ' A' ' 22' ' ' VAL . 2.7 tp60 -79.47 99.94 7.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.486 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 29.0 m -46.7 136.06 8.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.5 m -98.67 6.0 47.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -115.27 -38.05 3.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.486 ' HG2' ' CB ' ' A' ' 35' ' ' CYS . 12.4 ptm180 -105.35 -12.15 16.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 62.72 44.49 6.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.402 ' HB3' ' CD ' ' A' ' 38' ' ' ARG . . . -126.26 140.89 52.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.092 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 23.6 mtm180 -81.44 102.72 10.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.533 HD12 ' CE2' ' A' ' 64' ' ' PHE . 9.5 mt -86.28 170.6 11.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.928 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.5 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -127.45 106.39 9.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.745 ' HB3' HD12 ' A' ' 33' ' ' ILE . 2.4 p90 -101.57 140.78 35.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -93.8 138.57 31.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.2 t -51.42 -17.62 0.82 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.874 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.2 t -78.17 -32.54 50.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 51.9 mm-40 -62.92 -50.07 72.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.433 ' CD2' HD22 ' A' ' 53' ' ' LEU . 17.1 t80 -50.6 130.06 23.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.938 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -78.52 -42.12 30.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.28 -151.86 1.4 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.463 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.432 ' O ' ' C ' ' A' ' 53' ' ' LEU . 12.1 t-20 -112.91 113.78 26.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.862 0.363 . . . . 0.0 110.88 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.433 HD22 ' CD2' ' A' ' 49' ' ' TYR . 1.3 mm? -35.06 -35.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.883 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.429 ' N ' ' O ' ' A' ' 52' ' ' ASN . 30.0 mm-40 -45.46 -49.83 13.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -68.87 -38.95 80.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.784 HD11 HG11 ' A' ' 62' ' ' VAL . 10.8 tp -66.26 150.54 48.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -154.63 174.08 15.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.928 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.525 HG13 ' O ' ' A' ' 23' ' ' ILE . 42.6 t -83.65 105.95 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.109 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 123.16 19.04 2.99 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.487 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -120.9 132.3 54.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.781 0.324 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.04 140.13 57.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.784 HG11 HD11 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -150.06 151.91 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.102 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.538 ' HB3' HG23 ' A' ' 81' ' ' VAL . 8.5 tt0 -107.97 136.51 47.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.763 ' CE1' HG21 ' A' ' 33' ' ' ILE . 21.6 p90 -148.37 176.77 10.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.485 ' O ' HG22 ' A' ' 78' ' ' VAL . 2.7 tt0 -124.17 123.44 40.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 87.6 t -73.33 117.79 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.8 m -127.53 170.22 12.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -103.14 128.69 50.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -65.32 173.47 2.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.871 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -109.99 1.22 18.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 42.9 mmm-85 -120.16 -47.45 2.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 67.3 p -105.1 -14.5 15.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.187 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 60.69 17.39 49.16 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.45 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 45.3 mmtt -85.05 152.53 58.92 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.606 0.717 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.513 ' O ' HD22 ' A' ' 42' ' ' LEU . 53.8 Cg_endo -69.72 97.48 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.714 2.276 . . . . 0.0 112.319 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 8.8 pt -105.71 166.53 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.183 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -94.78 145.06 25.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.158 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.485 HG22 ' O ' ' A' ' 65' ' ' GLU . 30.1 m -144.64 162.96 13.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 35.5 mmtt 44.5 51.38 7.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.912 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.786 HD11 ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -64.57 151.3 44.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.975 179.899 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.607 HG13 ' O ' ' A' ' 80' ' ' LEU . 5.5 m -160.99 117.79 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.14 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.736 ' HA ' HG12 ' A' ' 62' ' ' VAL . 17.4 tttm -56.2 128.65 36.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.7 mt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.924 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.2 mmm-85 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.771 0.32 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -108.36 154.13 22.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.9 p -124.24 151.92 43.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -155.32 -125.98 0.97 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.41 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.2 p -158.75 133.44 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.817 0.341 . . . . 0.0 111.135 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.973 HD11 HG21 ' A' ' 62' ' ' VAL . 26.0 mm -64.39 91.63 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.115 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.3 tp10 -67.15 -38.58 85.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.453 ' HD3' ' N ' ' A' ' 26' ' ' LEU . 5.0 tmtm? -146.52 153.66 40.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.453 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 2.9 tt -147.99 136.94 21.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.421 ' N ' HD12 ' A' ' 27' ' ' LEU . 3.7 mp -128.98 -177.3 4.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 83.8 m -79.46 -19.3 50.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.176 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.7 t -102.72 -41.81 6.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -158.15 -175.55 5.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.966 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.52 ' HA3' ' CE1' ' A' ' 44' ' ' PHE . . . -154.21 167.23 32.31 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.426 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -113.25 156.41 23.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.805 0.336 . . . . 0.0 110.893 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.79 ' CD1' HD11 ' A' ' 80' ' ' LEU . 33.8 mt -136.63 116.18 16.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.137 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.485 ' NE2' ' HG3' ' A' ' 41' ' ' ARG . 3.9 tp60 -80.46 95.59 6.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.947 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.475 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 74.0 m -42.97 130.24 4.35 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.934 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.6 m -95.19 10.24 36.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -116.99 -36.05 3.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.475 ' HG2' ' CB ' ' A' ' 35' ' ' CYS . 14.2 ptm180 -110.99 -6.62 14.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 59.84 40.59 19.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.425 ' HB3' ' CD ' ' A' ' 38' ' ' ARG . . . -121.26 141.62 50.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.069 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.487 ' HB2' ' CZ ' ' A' ' 41' ' ' ARG . 14.0 mtm105 -82.99 101.91 11.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.617 HD12 ' CE1' ' A' ' 64' ' ' PHE . 8.9 mt -85.21 171.17 12.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.483 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -127.96 108.08 10.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.903 179.92 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.562 ' HB3' HD12 ' A' ' 33' ' ' ILE . 2.5 p90 -103.6 140.92 36.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -96.49 141.81 29.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.4 p -50.99 -20.04 1.23 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.831 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.7 t -74.74 -34.51 62.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -61.92 -49.82 74.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.601 ' HD2' HD22 ' A' ' 53' ' ' LEU . 13.2 t80 -51.96 134.44 31.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -85.37 -38.07 19.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.852 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -74.68 -147.87 1.49 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.49 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 41.5 t-20 -113.97 118.63 34.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.88 0.372 . . . . 0.0 110.927 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.601 HD22 ' HD2' ' A' ' 49' ' ' TYR . 3.2 mm? -47.12 -36.61 8.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -47.88 -40.92 23.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.96 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -76.77 -35.7 57.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.439 HD12 ' HD2' ' A' ' 82' ' ' LYS . 10.1 tp -62.14 144.58 55.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.939 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.3 pttp -150.02 151.39 33.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.749 HG13 ' O ' ' A' ' 23' ' ' ILE . 80.8 t -63.05 129.46 26.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.121 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.77 16.28 26.69 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.481 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -113.16 142.15 46.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.785 0.326 . . . . 0.0 110.868 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.77 135.76 43.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.973 HG21 HD11 ' A' ' 23' ' ' ILE . 1.6 m -146.72 164.92 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.172 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.514 ' HB3' HG23 ' A' ' 81' ' ' VAL . 66.1 tt0 -120.63 135.17 55.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.617 ' CE1' HD12 ' A' ' 42' ' ' LEU . 44.9 p90 -144.48 176.61 9.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.863 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.547 ' O ' HG22 ' A' ' 78' ' ' VAL . 3.8 tt0 -124.72 118.75 27.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.405 HG22 HD11 ' A' ' 42' ' ' LEU . 66.1 t -69.41 116.17 9.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' A' ' 75' ' ' PRO . 2.0 m -126.75 175.81 7.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.0 p -108.25 128.7 54.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.843 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -66.48 165.61 14.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.864 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -103.0 0.73 32.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -119.88 -38.25 2.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 22.2 p -115.93 -12.67 11.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.183 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 59.13 9.2 7.29 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.498 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.2 mmtt -76.37 152.61 83.77 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.582 0.706 . . . . 0.0 110.898 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.512 ' O ' HD22 ' A' ' 42' ' ' LEU . 53.9 Cg_endo -69.78 99.87 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.701 2.267 . . . . 0.0 112.35 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 10.7 pt -110.64 163.37 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.153 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -91.44 146.75 23.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.547 HG22 ' O ' ' A' ' 65' ' ' GLU . 28.0 m -146.08 161.9 10.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.2 mmtt 45.44 51.76 9.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.79 HD11 ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -64.38 156.16 30.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.88 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.664 HG13 ' O ' ' A' ' 80' ' ' LEU . 12.5 m -163.4 119.76 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.149 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.846 ' HA ' HG12 ' A' ' 62' ' ' VAL . 10.6 tttt -59.24 125.65 24.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.4 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.888 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.1 mmm-85 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.776 0.322 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -104.33 154.18 20.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.931 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.5 p -120.27 145.52 46.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -152.3 -137.66 2.61 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.469 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.5 p -150.52 141.0 16.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.803 0.335 . . . . 0.0 111.093 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.874 HD11 HG21 ' A' ' 62' ' ' VAL . 10.9 mm -71.39 95.01 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.097 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -70.45 -46.94 62.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.844 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.57 ' HD2' HD11 ' A' ' 27' ' ' LEU . 7.2 tmtm? -138.38 154.15 48.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.49 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 3.3 tp -146.88 138.27 24.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.925 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.57 HD11 ' HD2' ' A' ' 25' ' ' LYS . 4.5 mp -131.43 -174.87 3.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.3 m -78.91 -28.41 43.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.2 m -92.14 -40.23 11.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -164.21 -175.14 3.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.902 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.531 ' O ' ' CD1' ' A' ' 44' ' ' PHE . . . -151.4 165.32 30.41 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.49 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -108.16 156.91 18.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.863 0.363 . . . . 0.0 110.854 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.82 ' CD1' HD11 ' A' ' 80' ' ' LEU . 37.7 mt -134.89 114.62 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.422 ' NE2' ' HG3' ' A' ' 41' ' ' ARG . 2.4 tp60 -80.39 93.37 5.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.493 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 68.0 m -43.74 142.1 1.36 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 45.2 m -100.27 -0.54 38.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -108.21 -42.79 4.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.827 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.505 ' O ' ' CG ' ' A' ' 39' ' ' GLN . 9.9 ptm180 -101.75 -0.28 34.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.505 ' CG ' ' O ' ' A' ' 38' ' ' ARG . 11.1 pt20 47.88 43.11 17.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.49 ' HB3' ' NE ' ' A' ' 38' ' ' ARG . . . -123.39 140.51 52.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.422 ' HG3' ' NE2' ' A' ' 34' ' ' GLN . 27.2 mtp180 -79.27 99.81 7.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.567 HD12 ' CE2' ' A' ' 64' ' ' PHE . 8.7 mt -83.09 169.71 15.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.489 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -127.56 108.74 11.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.614 ' HB3' HD12 ' A' ' 33' ' ' ILE . 2.2 p90 -104.26 140.96 37.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -93.81 139.99 30.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.406 ' HA ' HD21 ' A' ' 53' ' ' LEU . 1.4 p -52.26 -16.29 0.8 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.845 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.9 t -80.19 -31.29 38.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.817 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 57.1 mm-40 -62.31 -50.29 72.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.928 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.439 ' HD2' HD22 ' A' ' 53' ' ' LEU . 12.5 t80 -51.6 127.0 19.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -78.5 -34.11 47.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.915 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -76.55 -140.4 1.06 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.527 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' ' 53' ' ' LEU . 1.5 t30 -123.5 111.49 16.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.847 0.356 . . . . 0.0 110.877 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 52' ' ' ASN . 3.8 mm? -34.03 -46.24 0.23 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 52.5 mm-40 -42.05 -49.3 4.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -63.93 -35.07 79.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.839 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.601 HD11 HG11 ' A' ' 62' ' ' VAL . 10.4 tp -71.81 159.7 33.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.965 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.7 pttm -159.16 164.26 35.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.417 HG13 ' O ' ' A' ' 23' ' ' ILE . 38.4 t -75.2 127.69 36.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.201 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.3 20.18 16.42 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.51 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -118.8 151.95 37.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.833 0.349 . . . . 0.0 110.858 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.4 ' O ' HG13 ' A' ' 62' ' ' VAL . 1.1 m-20 -80.04 142.87 34.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.874 HG21 HD11 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -155.17 142.48 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.138 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -99.04 128.94 45.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.71 ' CE1' HG21 ' A' ' 33' ' ' ILE . 14.9 p90 -138.55 176.76 8.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.472 ' O ' HG22 ' A' ' 78' ' ' VAL . 2.2 tt0 -123.47 118.75 28.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.413 HG22 HD11 ' A' ' 42' ' ' LEU . 64.8 t -71.21 122.43 23.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.9 t -131.67 172.69 11.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 72.4 m -105.59 130.96 53.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -67.06 165.56 15.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -104.91 1.36 28.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.1 mmp_? -117.49 -41.54 2.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 63.2 p -115.22 -12.72 11.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.164 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 61.34 15.28 44.72 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.461 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.9 mmtt -81.11 152.92 71.78 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.617 0.723 . . . . 0.0 110.872 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 103.01 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.676 2.251 . . . . 0.0 112.375 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 10.6 pt -115.67 159.37 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.12 145.1 25.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.472 HG22 ' O ' ' A' ' 65' ' ' GLU . 28.1 m -144.87 161.49 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.124 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? 47.77 49.92 16.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.82 HD11 ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -62.65 155.13 27.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.592 HG13 ' O ' ' A' ' 80' ' ' LEU . 0.7 OUTLIER -161.47 128.55 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.098 179.882 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.66 ' HA ' HG12 ' A' ' 62' ' ' VAL . 13.9 tttt -66.68 129.64 40.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.877 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.6 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.16 179.873 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.768 0.318 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -111.17 154.22 24.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 24.8 p -124.6 144.61 50.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -148.75 -138.5 3.0 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.514 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.494 ' O ' HG13 ' A' ' 22' ' ' VAL . 6.1 p -152.23 124.88 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.76 0.314 . . . . 0.0 111.113 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.666 HD13 HG12 ' A' ' 33' ' ' ILE . 16.6 mm -56.12 92.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -69.41 -39.93 77.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.442 ' HD2' HD11 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -143.08 154.7 44.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.7 tp -146.1 136.87 24.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.442 HD11 ' HD2' ' A' ' 25' ' ' LYS . 5.0 mp -127.87 -175.87 3.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.921 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.434 HG22 ' O ' ' A' ' 28' ' ' THR . 88.8 m -82.56 -12.92 57.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.4 t -109.44 -37.86 5.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.828 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -161.34 -179.49 7.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.58 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -147.41 158.78 27.83 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.539 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -105.03 146.83 28.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.82 0.343 . . . . 0.0 110.864 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.834 HG21 ' CE1' ' A' ' 64' ' ' PHE . 22.8 mt -126.17 111.82 27.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.422 ' NE2' ' HG3' ' A' ' 41' ' ' ARG . 5.3 tp60 -78.94 101.52 7.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.7 m -48.97 137.51 12.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -103.31 6.16 37.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 -179.706 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -116.79 -42.03 3.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.848 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.487 ' HB2' ' CZ ' ' A' ' 38' ' ' ARG . 0.4 OUTLIER -99.91 -13.53 19.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 -179.912 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 63.92 46.98 3.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -131.66 133.84 45.33 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.422 ' HG3' ' NE2' ' A' ' 34' ' ' GLN . 15.5 mtt180 -74.39 104.87 5.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.605 HD12 ' HE2' ' A' ' 64' ' ' PHE . 8.6 mt -87.44 166.0 15.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.548 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -124.43 107.28 10.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.789 ' HB3' HD12 ' A' ' 33' ' ' ILE . 2.0 p90 -103.5 141.55 35.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -95.76 142.36 28.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 62.8 m -54.03 -14.87 1.17 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 45.1 t -81.48 -31.07 33.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.801 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 48.6 mm-40 -63.74 -49.63 72.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.442 ' CD2' HD22 ' A' ' 53' ' ' LEU . 21.2 t80 -52.0 129.92 28.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -81.28 -40.98 22.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.29 -141.71 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.439 ' O ' ' C ' ' A' ' 53' ' ' LEU . 1.8 p-10 -122.07 109.68 14.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.35 . . . . 0.0 110.905 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.442 HD22 ' CD2' ' A' ' 49' ' ' TYR . 2.7 mm? -34.38 -42.94 0.15 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -42.91 -49.92 5.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -66.63 -36.88 83.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.719 HD11 HG11 ' A' ' 62' ' ' VAL . 10.2 tp -68.58 144.04 54.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.415 ' HD2' ' CG ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -144.02 169.34 18.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.836 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.58 HG13 ' O ' ' A' ' 23' ' ' ILE . 78.2 t -80.61 115.73 23.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.099 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 115.28 15.91 7.45 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.502 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.415 ' CG ' ' HD2' ' A' ' 57' ' ' LYS . 29.6 m-20 -116.73 145.19 43.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.787 0.327 . . . . 0.0 110.881 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.69 141.28 48.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.751 HG12 ' HA ' ' A' ' 82' ' ' LYS . 0.8 OUTLIER -151.96 146.39 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.129 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -102.75 136.17 43.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.834 ' CE1' HG21 ' A' ' 33' ' ' ILE . 4.7 p90 -146.08 176.72 9.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.609 ' O ' HG22 ' A' ' 78' ' ' VAL . 4.6 tt0 -121.62 115.28 22.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.856 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.497 HG22 HD11 ' A' ' 42' ' ' LEU . 48.6 t -69.74 120.57 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.133 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.5 t -128.6 178.62 6.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.852 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -109.97 126.38 53.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -60.35 163.5 5.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.829 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -99.4 0.69 43.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 20.0 mmt-85 -116.37 -58.18 2.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 34.4 p -99.18 -8.82 24.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 58.97 15.83 29.96 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -78.49 152.32 78.24 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.54 0.686 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 102.25 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.671 2.247 . . . . 0.0 112.337 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 8.1 pt -113.4 161.58 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -91.24 143.36 26.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.609 HG22 ' O ' ' A' ' 65' ' ' GLU . 30.6 m -143.7 163.12 15.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.119 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 39.0 mmtt 45.64 49.1 11.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.83 HD11 ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -62.79 151.72 37.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.479 ' O ' HG13 ' A' ' 81' ' ' VAL . 11.2 p -159.75 123.94 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.073 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.751 ' HA ' HG12 ' A' ' 62' ' ' VAL . 13.4 tttt -59.9 129.36 41.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.7 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.111 179.849 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.0 mmm-85 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.788 0.327 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -105.55 154.9 19.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 18.3 p -125.33 147.84 48.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.121 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -153.93 -135.5 2.12 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.497 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.6 p -151.41 131.81 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.801 0.334 . . . . 0.0 111.124 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.723 ' O ' HG13 ' A' ' 58' ' ' VAL . 5.9 mm -61.2 94.32 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -68.69 -40.7 79.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.468 ' HD3' ' N ' ' A' ' 26' ' ' LEU . 1.8 tmtt? -147.58 153.44 39.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.468 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 3.3 tp -143.19 138.15 29.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.411 ' HG ' ' NZ ' ' A' ' 25' ' ' LYS . 4.3 mp -130.14 -175.79 3.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 48.8 m -79.0 -25.3 43.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -94.65 -41.96 9.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -161.6 -175.27 4.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.602 ' O ' ' CD1' ' A' ' 44' ' ' PHE . . . -149.06 159.65 28.12 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -105.81 148.64 27.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.798 0.332 . . . . 0.0 110.889 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.878 ' CD1' HD11 ' A' ' 80' ' ' LEU . 33.1 mt -128.87 115.43 36.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.134 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.467 ' NE2' ' HG3' ' A' ' 41' ' ' ARG . 8.1 tp60 -80.21 101.49 8.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.49 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 76.3 m -51.18 127.14 18.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.73 9.11 38.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -115.58 -42.49 3.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.496 ' CD ' ' HB3' ' A' ' 40' ' ' ALA . 14.7 ptm180 -102.96 -6.7 22.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 60.01 34.45 21.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.496 ' HB3' ' CD ' ' A' ' 38' ' ' ARG . . . -119.43 132.2 55.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.08 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.467 ' HG3' ' NE2' ' A' ' 34' ' ' GLN . 23.4 mtm180 -74.35 111.26 9.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.646 HD11 HG22 ' A' ' 66' ' ' VAL . 8.2 mt -94.59 166.25 12.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.548 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -124.1 108.3 12.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.668 ' HB3' HD12 ' A' ' 33' ' ' ILE . 2.2 p90 -103.29 141.6 35.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -94.81 140.13 30.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.1 t -52.04 -17.57 1.09 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.7 m -79.8 -29.66 40.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.4 ' CG ' ' HA ' ' A' ' 78' ' ' VAL . 62.7 mm-40 -65.34 -43.77 89.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.912 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.437 ' CD2' HD22 ' A' ' 53' ' ' LEU . 13.0 t80 -54.28 132.15 43.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.958 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 36.1 m-20 -80.86 -38.15 28.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -77.89 -144.98 2.35 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.485 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.426 ' O ' ' C ' ' A' ' 53' ' ' LEU . 11.5 t-20 -117.73 112.67 20.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 110.873 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.437 HD22 ' CD2' ' A' ' 49' ' ' TYR . 1.3 mm? -35.17 -40.42 0.13 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.916 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -43.3 -49.43 6.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.925 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -67.28 -36.57 81.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.611 HD11 HG11 ' A' ' 62' ' ' VAL . 11.3 tp -64.91 154.98 35.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.945 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.2 pttt -159.32 160.29 34.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.723 HG13 ' O ' ' A' ' 23' ' ' ILE . 87.4 t -73.43 123.73 29.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.116 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 105.77 21.05 8.89 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.518 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -123.95 143.01 50.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.833 0.349 . . . . 0.0 110.867 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -69.54 142.72 53.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.866 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.639 HG12 ' HA ' ' A' ' 82' ' ' LYS . 1.0 OUTLIER -154.17 142.31 13.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.11 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.421 ' HB3' HG13 ' A' ' 81' ' ' VAL . 6.8 tt0 -98.63 131.28 44.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.723 ' CE2' HG21 ' A' ' 33' ' ' ILE . 33.9 p90 -142.91 176.7 8.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.474 ' O ' HG22 ' A' ' 78' ' ' VAL . 4.8 tp10 -121.23 124.86 45.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.646 HG22 HD11 ' A' ' 42' ' ' LEU . 80.7 t -79.77 114.85 21.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.139 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.3 t -124.1 172.2 9.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.9 p -102.91 123.55 46.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.86 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -58.07 171.66 0.51 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -110.92 0.39 17.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 19.0 mtt-85 -116.87 -34.64 4.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 18.2 p -123.97 -7.44 7.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.132 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 58.48 13.88 18.46 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.465 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.3 mmtp -79.39 152.23 75.71 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.605 0.717 . . . . 0.0 110.858 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.488 ' O ' HD22 ' A' ' 42' ' ' LEU . 53.4 Cg_endo -69.77 102.96 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.66 2.24 . . . . 0.0 112.332 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 8.9 pt -112.64 158.78 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -88.69 143.31 27.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.075 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.474 HG22 ' O ' ' A' ' 65' ' ' GLU . 27.7 m -144.17 162.22 15.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.142 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.0 mttt 46.61 49.88 13.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.878 HD11 ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -62.88 158.23 19.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.972 179.84 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.421 HG13 ' HB3' ' A' ' 63' ' ' GLU . 1.2 p -165.4 131.53 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.167 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.639 ' HA ' HG12 ' A' ' 62' ' ' VAL . 21.4 tttt -67.46 126.61 29.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.1 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.105 179.881 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.7 mmm-85 . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.793 0.33 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -96.68 154.11 17.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.683 HG22 ' HG3' ' A' ' 63' ' ' GLU . 31.0 p -127.75 139.71 52.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -151.38 -124.91 1.17 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.509 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.401 HG12 ' HB3' ' A' ' 34' ' ' GLN . 3.6 p -157.11 151.72 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.805 0.336 . . . . 0.0 111.099 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.601 HD13 HG12 ' A' ' 33' ' ' ILE . 15.4 mm -78.86 90.9 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -65.17 -46.62 80.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.499 ' HD2' HD11 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -139.2 153.22 47.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.932 179.898 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.486 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 2.7 tp -146.28 139.47 25.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.943 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.499 HD11 ' HD2' ' A' ' 25' ' ' LYS . 5.1 mp -131.59 -175.54 3.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.946 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 43.7 m -80.34 -19.25 46.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.132 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.5 m -102.14 -38.71 7.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -165.48 -176.52 4.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -150.93 167.11 30.52 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.449 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -113.61 142.14 46.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.815 0.34 . . . . 0.0 110.882 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.904 HG21 ' CE1' ' A' ' 64' ' ' PHE . 22.3 mt -119.54 119.01 59.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.401 ' HB3' HG12 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -78.36 107.51 11.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.485 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 64.9 m -65.6 110.29 2.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.7 m -80.51 8.88 6.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -109.99 -40.7 4.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.571 ' CD ' ' HB3' ' A' ' 40' ' ' ALA . 11.6 ptm180 -105.05 -6.52 19.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 62.61 39.71 11.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.571 ' HB3' ' CD ' ' A' ' 38' ' ' ARG . . . -132.82 139.48 47.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.096 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.497 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 9.3 ptt85 -83.02 112.69 20.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.647 HD12 ' HE2' ' A' ' 64' ' ' PHE . 9.5 mt -90.77 169.99 10.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.563 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -124.1 105.16 9.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 179.917 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.597 ' HB3' HD12 ' A' ' 33' ' ' ILE . 1.9 p90 -101.23 139.84 36.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.9 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -92.45 140.83 29.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 31.2 m -54.29 -14.87 1.3 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.8 p -81.32 -31.39 33.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.9 mm-40 -63.18 -52.01 64.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -51.69 126.32 17.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.959 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 19.3 p-10 -78.95 -41.04 30.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.5 -143.69 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.428 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' ' 53' ' ' LEU . 51.8 t-20 -123.65 112.62 17.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.939 0.399 . . . . 0.0 110.845 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 52' ' ' ASN . 4.0 mm? -34.56 -43.96 0.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.918 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -43.67 -49.07 7.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -66.25 -36.8 83.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.849 HD11 HG11 ' A' ' 62' ' ' VAL . 10.5 tp -68.74 149.04 49.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.963 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.407 ' HE3' ' CG ' ' A' ' 60' ' ' ASP . 7.3 pttp -155.24 163.73 39.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.49 HG13 ' O ' ' A' ' 23' ' ' ILE . 41.6 t -74.94 109.86 8.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.164 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 119.96 17.35 4.61 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.458 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.407 ' CG ' ' HE3' ' A' ' 57' ' ' LYS . 33.4 m-20 -119.39 139.77 51.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.802 0.334 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.415 ' HB3' HD12 ' A' ' 83' ' ' ILE . 40.8 m-20 -68.13 138.39 55.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.849 HG11 HD11 ' A' ' 56' ' ' LEU . 1.7 m -151.21 141.84 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.161 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.683 ' HG3' HG22 ' A' ' 20' ' ' THR . 12.0 tt0 -99.8 139.12 35.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.904 ' CE1' HG21 ' A' ' 33' ' ' ILE . 16.8 p90 -147.13 176.73 9.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.638 ' O ' HG22 ' A' ' 78' ' ' VAL . 2.6 tt0 -122.81 127.56 49.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.437 HG22 HD11 ' A' ' 42' ' ' LEU . 85.4 t -79.74 119.87 29.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.099 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.3 t -125.06 179.21 5.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 26.1 p -118.36 106.66 12.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.827 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -48.54 170.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.873 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.593 ' HE ' ' N ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -110.9 -13.96 14.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 -179.904 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.0 mmt85 -97.93 -41.16 8.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 43.6 p -112.85 -16.88 12.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 61.78 17.55 54.65 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.506 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 51.1 mmtt -88.84 151.76 47.85 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.538 0.685 . . . . 0.0 110.899 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 102.84 1.08 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.655 2.237 . . . . 0.0 112.348 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.0 pt -115.88 166.03 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -89.62 152.25 21.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.102 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.638 HG22 ' O ' ' A' ' 65' ' ' GLU . 17.2 m -150.98 158.0 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.106 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 32.3 mtmt 48.43 50.22 17.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.869 HD11 ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -63.04 151.06 40.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.927 179.917 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.441 HG23 ' HB3' ' A' ' 63' ' ' GLU . 6.5 m -155.25 129.21 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.124 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.714 ' HA ' HG12 ' A' ' 62' ' ' VAL . 19.9 tttt -66.43 119.23 11.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.415 HD12 ' HB3' ' A' ' 61' ' ' ASP . 1.7 mt . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.135 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 37.1 mmm-85 . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.793 0.33 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -104.43 153.79 20.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.9 p -121.82 147.98 45.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.194 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -155.55 -136.79 2.25 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.0 p -149.97 131.75 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.781 0.324 . . . . 0.0 111.092 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.814 HD13 HG12 ' A' ' 33' ' ' ILE . 20.2 mm -62.69 95.06 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.169 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -69.27 -44.42 71.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.538 ' HD2' HD11 ' A' ' 27' ' ' LEU . 7.4 tmtm? -137.45 154.65 49.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.472 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 3.7 tp -147.89 138.29 22.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.538 HD11 ' HD2' ' A' ' 25' ' ' LYS . 4.7 mp -132.56 -174.81 3.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.9 m -81.09 -22.62 39.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.7 m -97.53 -40.95 8.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.868 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -162.78 178.57 8.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.586 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -145.02 162.4 28.12 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.489 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -108.83 153.05 24.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.77 0.319 . . . . 0.0 110.909 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.814 HG12 HD13 ' A' ' 23' ' ' ILE . 21.5 mt -131.15 114.71 27.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.099 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 35' ' ' CYS . 3.8 tp60 -78.33 89.06 4.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.407 ' C ' ' O ' ' A' ' 34' ' ' GLN . 64.8 m -37.82 132.64 0.91 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.8 m -98.82 3.1 47.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -108.54 -41.18 4.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -103.18 -11.98 17.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 63.95 50.53 2.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -134.14 145.39 49.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.106 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.404 ' HG3' ' NE2' ' A' ' 34' ' ' GLN . 35.2 mtm180 -82.86 100.55 10.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.64 HD12 ' CE2' ' A' ' 64' ' ' PHE . 8.3 mt -84.73 164.94 18.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.556 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -123.26 105.1 9.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.876 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.647 ' HB3' HD12 ' A' ' 33' ' ' ILE . 2.3 p90 -101.25 139.14 37.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -91.95 138.9 31.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.4 p -52.91 -15.97 0.91 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.1 m -80.69 -30.79 36.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 71.3 mm-40 -63.58 -45.66 89.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.438 ' HD2' HD22 ' A' ' 53' ' ' LEU . 16.7 t80 -56.82 128.95 39.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -80.15 -36.98 34.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.86 -139.31 0.25 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.444 ' O ' ' C ' ' A' ' 53' ' ' LEU . 64.0 t30 -127.9 109.83 11.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.872 0.368 . . . . 0.0 110.895 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 52' ' ' ASN . 3.8 mm? -34.1 -40.14 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 10.2 mp0 -42.41 -50.62 5.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -66.93 -36.88 83.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.665 HD11 HG11 ' A' ' 62' ' ' VAL . 11.7 tp -67.89 147.64 52.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.3 pttp -149.38 156.66 42.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.478 ' HA ' HG22 ' A' ' 23' ' ' ILE . 30.8 t -66.77 114.59 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 113.51 15.47 8.83 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.528 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -115.29 138.28 51.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.748 0.309 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.462 ' O ' HG13 ' A' ' 62' ' ' VAL . 3.6 m-20 -66.23 144.05 56.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.868 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.68 HG12 ' HA ' ' A' ' 82' ' ' LYS . 0.7 OUTLIER -157.07 142.29 8.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.113 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.414 ' HB3' HG23 ' A' ' 81' ' ' VAL . 8.7 tt0 -96.76 133.93 40.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.776 ' CE1' HG21 ' A' ' 33' ' ' ILE . 23.6 p90 -143.92 176.65 9.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.864 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.494 ' O ' HG22 ' A' ' 78' ' ' VAL . 5.8 tp10 -123.03 125.63 45.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.431 HG22 HD11 ' A' ' 42' ' ' LEU . 75.0 t -79.16 121.0 31.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.091 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.2 t -130.5 165.97 21.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.831 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 64.4 p -105.31 109.17 21.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.826 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -48.1 175.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.58 ' HE ' ' N ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -114.5 -16.66 11.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.906 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 32.7 mmt180 -95.97 -41.44 8.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 44.2 p -110.69 -20.97 12.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.193 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 67.47 14.95 65.34 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.43 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.2 mmtt -88.12 152.54 50.68 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.592 0.71 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 105.35 1.47 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.651 2.234 . . . . 0.0 112.345 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.6 pt -118.19 159.02 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.116 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -87.15 149.89 24.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.494 HG22 ' O ' ' A' ' 65' ' ' GLU . 23.6 m -148.25 160.54 6.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.137 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.5 mmpt? 47.54 49.44 16.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.777 HD11 ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -61.68 149.26 40.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.916 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 81' ' ' VAL . 34.3 m -154.42 126.93 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.125 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.68 ' HA ' HG12 ' A' ' 62' ' ' VAL . 7.0 tttm -64.7 123.2 18.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.1 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.086 179.921 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.0 mmm-85 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.76 0.314 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -102.16 154.05 19.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.506 HG22 ' HG3' ' A' ' 63' ' ' GLU . 28.0 p -117.59 141.47 48.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.164 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -149.85 -137.42 2.75 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.456 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.47 ' O ' ' N ' ' A' ' 34' ' ' GLN . 2.9 p -151.17 145.12 16.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.799 0.333 . . . . 0.0 111.11 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.822 HD13 HG12 ' A' ' 33' ' ' ILE . 12.9 mm -77.21 93.61 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.132 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -68.24 -40.51 81.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.466 ' HD3' ' N ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -143.39 155.19 44.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.466 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 4.0 tp -146.97 136.91 23.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.412 ' N ' HD12 ' A' ' 27' ' ' LEU . 4.8 mp -127.87 -174.54 3.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 51.3 m -81.09 -22.51 39.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.104 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.1 m -99.27 -40.27 8.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.848 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -160.08 -175.92 5.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.942 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.498 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -150.3 162.16 29.16 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.48 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -106.81 144.42 33.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.813 0.339 . . . . 0.0 110.92 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.914 ' CD1' HD11 ' A' ' 80' ' ' LEU . 34.4 mt -125.57 110.89 25.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.501 ' NE2' ' HG3' ' A' ' 41' ' ' ARG . 2.8 tp60 -78.5 95.83 5.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.497 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 14.3 m -46.91 138.15 6.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 37.8 m -98.53 -11.28 22.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -96.56 -43.8 7.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.497 ' HG2' ' CB ' ' A' ' 35' ' ' CYS . 16.8 ptp180 -98.59 -12.34 21.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.914 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 58.67 54.06 5.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -137.73 137.2 38.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.088 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.501 ' HG3' ' NE2' ' A' ' 34' ' ' GLN . 16.9 mtm105 -76.24 100.77 5.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.586 HD12 ' CE2' ' A' ' 64' ' ' PHE . 10.5 mt -86.76 164.85 16.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.486 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -121.26 107.99 13.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.641 ' HB3' HD12 ' A' ' 33' ' ' ILE . 1.8 p90 -104.0 141.48 36.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -95.23 141.7 28.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 77.3 m -51.54 -16.84 0.67 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.6 t -80.6 -30.58 36.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.4 mm-40 -62.0 -50.12 73.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.446 ' HD2' HD22 ' A' ' 53' ' ' LEU . 11.0 t80 -56.28 116.53 3.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 61.7 m-20 -81.55 2.48 28.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -102.19 -147.08 19.07 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.488 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -114.34 107.1 15.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.863 0.363 . . . . 0.0 110.894 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.446 HD22 ' HD2' ' A' ' 49' ' ' TYR . 4.1 mm? -39.19 -39.17 0.57 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -50.56 -47.25 57.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -68.81 -30.46 69.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.585 HD11 HG11 ' A' ' 62' ' ' VAL . 10.8 tp -71.85 156.25 39.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.2 ptpp? -163.29 170.31 17.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.95 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.724 HG13 ' O ' ' A' ' 23' ' ' ILE . 97.1 t -82.59 117.77 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.161 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 111.88 19.84 7.11 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.499 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -123.15 128.48 50.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.812 0.339 . . . . 0.0 110.83 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -56.95 140.74 47.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.828 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.705 HG12 ' HA ' ' A' ' 82' ' ' LYS . 1.2 m -152.22 142.31 15.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.158 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.506 ' HG3' HG22 ' A' ' 20' ' ' THR . 12.0 tt0 -99.63 132.78 44.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.885 ' CE1' HG21 ' A' ' 33' ' ' ILE . 18.4 p90 -141.54 176.82 8.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -118.16 119.92 36.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 89.4 t -76.63 118.76 23.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.42 ' O ' ' HA ' ' A' ' 75' ' ' PRO . 1.1 t -131.35 177.27 7.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.865 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.437 ' O ' ' NH2' ' A' ' 70' ' ' ARG . 34.0 p -116.2 121.84 43.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -55.46 178.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.709 ' HE ' ' N ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -104.35 -27.5 11.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.895 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 49.6 mtt-85 -88.76 -59.93 2.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 6.1 p -91.73 -19.27 22.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.185 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 61.85 12.07 33.63 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.498 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.5 mmtt -73.02 153.47 90.83 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.538 0.685 . . . . 0.0 110.889 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.42 ' HA ' ' O ' ' A' ' 67' ' ' SER . 53.8 Cg_endo -69.77 100.27 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.609 2.206 . . . . 0.0 112.375 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 11.1 pt -113.53 162.89 11.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.096 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -95.12 152.66 18.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.081 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 35.3 m -149.72 163.45 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.116 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.6 mmpt? 45.4 48.6 10.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.914 HD11 ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -59.93 151.97 24.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.88 179.911 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.448 HG23 ' HB3' ' A' ' 63' ' ' GLU . 2.1 m -155.41 131.53 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.071 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.705 ' HA ' HG12 ' A' ' 62' ' ' VAL . 25.8 tttt -70.05 122.38 19.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.3 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 179.859 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 42.5 mmm-85 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.775 0.322 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.615 ' OE2' HG21 ' A' ' 66' ' ' VAL . 8.8 mt-10 -99.02 154.17 18.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 35.0 p -123.36 139.83 53.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.152 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -148.85 -133.87 2.31 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.495 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 34' ' ' GLN . 6.7 p -152.36 141.53 14.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.775 0.321 . . . . 0.0 111.125 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.705 HD13 HG12 ' A' ' 33' ' ' ILE . 10.0 mm -73.55 93.3 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -67.02 -43.97 81.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.708 ' HE3' HD11 ' A' ' 27' ' ' LEU . 0.9 OUTLIER -141.26 157.41 45.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.478 ' N ' ' HD2' ' A' ' 25' ' ' LYS . 3.8 tp -146.81 138.04 24.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.708 HD11 ' HE3' ' A' ' 25' ' ' LYS . 4.5 mp -129.03 -175.69 3.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 45.7 m -81.75 -17.63 47.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.136 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 41.0 m -104.44 -40.67 5.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.837 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -157.53 -174.99 5.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.561 ' HA3' ' CE1' ' A' ' 44' ' ' PHE . . . -150.95 159.42 28.15 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.508 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -106.03 143.98 33.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.859 0.361 . . . . 0.0 110.848 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.827 ' CD1' HD11 ' A' ' 80' ' ' LEU . 33.2 mt -125.73 111.66 27.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.162 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 22' ' ' VAL . 4.8 tp60 -75.88 95.27 3.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.484 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 18.6 m -40.14 145.62 0.15 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.6 m -107.27 -0.82 22.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -110.75 -36.06 5.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.526 ' CD ' ' HB3' ' A' ' 40' ' ' ALA . 14.2 ptm180 -108.83 0.63 20.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.521 ' CG ' ' O ' ' A' ' 38' ' ' ARG . 5.8 pt20 50.23 33.98 8.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.526 ' HB3' ' CD ' ' A' ' 38' ' ' ARG . . . -114.27 143.91 44.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.084 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.433 ' HG3' ' NE2' ' A' ' 34' ' ' GLN . 22.2 mtp180 -81.05 108.56 14.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.615 HD12 ' CE1' ' A' ' 64' ' ' PHE . 8.0 mt -91.19 165.61 13.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.623 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -124.34 108.43 12.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.707 ' HB3' HD12 ' A' ' 33' ' ' ILE . 2.4 p90 -105.53 141.13 37.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.868 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -95.32 139.65 31.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 67.6 m -51.09 -20.96 1.63 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.2 t -75.77 -30.85 59.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 68.3 mm-40 -62.78 -49.47 74.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.492 ' HD2' HD22 ' A' ' 53' ' ' LEU . 10.3 t80 -46.95 142.64 3.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.966 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.3 p-10 -88.74 -43.52 11.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -79.23 -155.19 9.06 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.518 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -100.55 122.57 43.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.896 0.379 . . . . 0.0 110.885 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.492 HD22 ' HD2' ' A' ' 49' ' ' TYR . 3.1 mm? -43.96 -34.42 1.69 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -48.33 -45.48 35.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.947 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -68.7 -37.66 79.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.891 HD11 HG11 ' A' ' 62' ' ' VAL . 10.1 tp -69.68 150.48 46.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.9 ptpp? -152.39 172.92 15.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.493 HG13 ' O ' ' A' ' 23' ' ' ILE . 74.3 t -84.21 125.81 40.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.096 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.0 22.58 10.6 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.495 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -123.53 145.72 48.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.793 0.33 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.46 142.02 51.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.891 HG11 HD11 ' A' ' 56' ' ' LEU . 0.6 OUTLIER -154.2 144.61 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -100.66 134.5 43.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.773 ' CE2' HG21 ' A' ' 33' ' ' ILE . 29.0 p90 -144.92 176.73 9.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.494 ' O ' HG22 ' A' ' 78' ' ' VAL . 1.4 tt0 -119.65 117.88 29.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.615 HG21 ' OE2' ' A' ' 19' ' ' GLU . 94.7 t -71.46 119.1 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.421 ' O ' ' HA ' ' A' ' 75' ' ' PRO . 1.3 t -132.09 179.11 6.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 18.5 m -114.29 127.87 56.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -62.33 170.09 2.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.428 ' N ' ' HD2' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -101.49 -12.52 18.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.831 -179.849 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 34.3 mmt180 -100.13 -60.68 1.48 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 25.9 p -94.31 -19.56 20.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.139 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 68.05 12.89 63.52 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.52 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.8 mmtt -75.78 153.53 85.13 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.582 0.706 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.472 ' O ' HD22 ' A' ' 42' ' ' LEU . 53.1 Cg_endo -69.83 98.19 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.667 2.245 . . . . 0.0 112.296 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 8.3 pt -109.52 164.96 5.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.101 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -96.27 147.38 23.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.494 HG22 ' O ' ' A' ' 65' ' ' GLU . 30.9 m -143.39 168.07 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.9 mmpt? 41.25 52.09 3.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.827 HD11 ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -64.01 151.22 43.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 179.903 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.449 ' O ' HG13 ' A' ' 81' ' ' VAL . 10.0 p -161.09 123.43 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.138 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.647 ' HA ' HG12 ' A' ' 62' ' ' VAL . 13.3 tttm -58.5 131.77 51.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.3 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.076 179.906 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.416 HH21 HG12 ' A' ' 81' ' ' VAL . 26.9 mmm-85 . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.765 0.317 . . . . 0.0 110.818 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -102.54 154.74 18.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.5 p -123.83 144.21 49.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.154 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -149.34 -123.3 1.24 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.498 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.3 p -164.07 133.12 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.764 0.316 . . . . 0.0 111.164 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.867 HD11 HG21 ' A' ' 62' ' ' VAL . 28.4 mm -62.17 95.75 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -72.8 -43.72 62.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.591 ' HD2' HD11 ' A' ' 27' ' ' LEU . 5.9 tmtm? -141.78 150.4 41.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.421 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 2.9 tp -144.36 138.76 28.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.591 HD11 ' HD2' ' A' ' 25' ' ' LYS . 3.9 mp -128.99 -174.77 3.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.93 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 82.9 m -78.61 -24.05 45.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.164 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.9 m -97.69 -41.91 7.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -162.27 -175.69 4.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.902 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.479 ' O ' ' CD1' ' A' ' 44' ' ' PHE . . . -150.96 164.79 30.09 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.499 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -108.79 144.9 36.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.867 0.365 . . . . 0.0 110.867 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.87 ' CD1' HD11 ' A' ' 80' ' ' LEU . 38.4 mt -121.79 117.03 51.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.149 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.09 102.09 10.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.505 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 85.9 m -57.24 126.48 27.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.9 m -89.19 6.01 42.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -109.39 -45.09 3.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.863 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.505 ' HG2' ' CB ' ' A' ' 35' ' ' CYS . 4.4 ptp180 -99.31 -11.4 21.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 62.75 48.78 4.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -135.37 141.19 45.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.533 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 10.9 ptt85 -83.4 102.79 12.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.522 HD12 ' CE2' ' A' ' 64' ' ' PHE . 12.2 mt -83.22 172.54 12.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.487 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -127.4 105.64 8.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.546 ' HB3' HD12 ' A' ' 33' ' ' ILE . 2.2 p90 -102.04 140.38 36.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -93.54 141.54 28.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 33.9 m -53.28 -15.59 1.01 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.3 t -80.1 -32.51 39.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.814 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -62.11 -50.65 71.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.954 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.461 ' HD2' HD22 ' A' ' 53' ' ' LEU . 13.5 t80 -50.96 132.64 27.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.941 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 34.0 m-80 -86.31 -38.98 16.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.46 -141.77 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.475 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.436 ' O ' ' C ' ' A' ' 53' ' ' LEU . 32.8 t-20 -122.02 112.24 18.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.826 0.346 . . . . 0.0 110.898 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.461 HD22 ' HD2' ' A' ' 49' ' ' TYR . 4.0 mm? -34.73 -43.37 0.18 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -45.71 -49.07 15.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -65.1 -37.47 87.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.75 HD11 HG11 ' A' ' 62' ' ' VAL . 9.4 tp -69.94 158.27 35.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.942 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.6 pttt -167.29 171.12 10.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.5 HG13 ' O ' ' A' ' 23' ' ' ILE . 54.6 t -76.45 125.64 36.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.096 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 102.07 19.13 15.45 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.468 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.27 142.26 47.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.831 0.348 . . . . 0.0 110.83 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -76.47 136.33 39.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.869 HG12 ' HA ' ' A' ' 82' ' ' LYS . 1.6 m -147.71 160.77 7.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -116.41 131.66 56.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.842 ' CE1' HG21 ' A' ' 33' ' ' ILE . 18.5 p90 -141.05 176.69 8.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.591 ' O ' HG22 ' A' ' 78' ' ' VAL . 6.4 tt0 -121.9 120.69 35.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 83.3 t -72.17 114.8 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.111 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.2 m -126.11 175.56 7.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -107.73 130.28 54.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.85 -179.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -64.34 168.62 5.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.861 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -103.39 1.35 32.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -119.8 -46.01 2.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 78.4 p -109.53 -8.96 14.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.121 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 55.31 16.97 10.54 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.444 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.2 mmtt -80.94 152.92 72.26 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.565 0.698 . . . . 0.0 110.871 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.47 ' O ' HD22 ' A' ' 42' ' ' LEU . 53.5 Cg_endo -69.81 103.08 1.11 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.665 2.244 . . . . 0.0 112.344 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 10.2 pt -114.53 169.37 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -94.68 143.91 26.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.078 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.591 HG22 ' O ' ' A' ' 65' ' ' GLU . 15.7 m -145.13 160.15 13.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.123 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.7 mtmm 46.29 50.43 12.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.87 HD11 ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -62.35 155.95 23.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 179.919 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.443 ' O ' HG13 ' A' ' 81' ' ' VAL . 6.7 p -164.65 118.81 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.094 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.869 ' HA ' HG12 ' A' ' 62' ' ' VAL . 9.2 tttm -56.93 132.56 53.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.1 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.104 179.852 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.406 ' NH2' ' O ' ' A' ' 79' ' ' LYS . 11.8 mmm180 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.735 0.302 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.474 ' HG3' ' CG2' ' A' ' 66' ' ' VAL . 11.3 mm-40 -101.94 152.52 20.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.674 HG22 ' HG3' ' A' ' 63' ' ' GLU . 31.7 p -124.3 139.35 53.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.16 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -148.3 -134.03 2.38 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.453 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.51 HG12 ' O ' ' A' ' 34' ' ' GLN . 7.8 p -152.34 149.65 13.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.817 0.341 . . . . 0.0 111.14 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.704 HD13 HG12 ' A' ' 33' ' ' ILE . 24.0 mm -79.91 93.69 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -68.71 -46.42 69.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.471 ' HD3' ' N ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -140.28 153.13 46.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.471 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 2.7 tp -143.31 138.19 29.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.9 mp -129.49 -174.51 3.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 63.6 m -78.45 -28.59 46.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.0 m -91.92 -44.73 8.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -158.95 -175.02 5.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.898 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.566 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -148.88 161.53 28.71 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.473 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -103.49 149.08 25.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.899 0.381 . . . . 0.0 110.822 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.838 ' CD1' HD11 ' A' ' 80' ' ' LEU . 26.8 mt -128.43 114.21 33.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.162 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.51 ' O ' HG12 ' A' ' 22' ' ' VAL . 1.8 tp60 -82.07 102.19 10.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.4 m -50.61 146.9 5.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 17.8 m -106.6 -5.98 18.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -104.19 -35.55 7.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -107.59 -15.47 14.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 63.53 42.59 6.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.934 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.61 141.79 50.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.481 ' HG3' ' NE2' ' A' ' 34' ' ' GLN . 12.5 mtm-85 -80.61 99.04 7.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.477 ' CD2' ' O ' ' A' ' 75' ' ' PRO . 9.9 mt -84.72 162.68 19.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.452 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -121.01 111.97 18.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.885 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.764 ' HB3' HD12 ' A' ' 33' ' ' ILE . 1.9 p90 -106.25 139.61 40.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -94.33 143.39 26.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 11.2 p -52.98 -15.77 0.87 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 43.1 t -80.8 -30.75 35.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 47.4 mm-40 -64.11 -49.78 70.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.955 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.451 ' HD2' HD22 ' A' ' 53' ' ' LEU . 8.9 t80 -50.97 121.93 6.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -87.52 11.15 15.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.903 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -117.87 -137.5 5.79 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.5 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 53' ' ' LEU . 5.0 t-20 -125.68 104.57 8.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.915 0.388 . . . . 0.0 110.881 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.451 HD22 ' HD2' ' A' ' 49' ' ' TYR . 4.1 mm? -34.6 -44.03 0.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -45.26 -48.75 12.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -65.2 -37.47 87.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.712 HD11 HG11 ' A' ' 62' ' ' VAL . 9.8 tp -64.52 165.15 10.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.4 ptmt -167.47 161.32 13.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.469 ' HA ' ' CG2' ' A' ' 23' ' ' ILE . 44.1 t -73.7 116.19 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.127 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 109.7 23.36 6.26 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.441 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -123.4 130.9 53.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.834 0.35 . . . . 0.0 110.867 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -59.1 139.57 56.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.712 HG11 HD11 ' A' ' 56' ' ' LEU . 1.2 m -150.72 142.63 16.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.674 ' HG3' HG22 ' A' ' 20' ' ' THR . 37.2 tt0 -99.87 138.8 36.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.697 ' CE1' HG21 ' A' ' 33' ' ' ILE . 9.1 p90 -148.06 176.83 9.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.653 ' O ' HG22 ' A' ' 78' ' ' VAL . 7.1 tt0 -120.83 112.72 19.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.474 ' CG2' ' HG3' ' A' ' 19' ' ' GLU . 90.1 t -69.18 120.79 17.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.408 ' O ' ' HA ' ' A' ' 75' ' ' PRO . 1.0 OUTLIER -132.89 -179.4 5.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 -179.871 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 63.6 m -111.3 133.94 53.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.831 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -70.54 169.7 13.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.821 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -106.39 -3.17 21.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 73.1 mmt-85 -112.5 -40.73 4.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 66.5 p -113.42 -19.99 11.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.084 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 66.7 14.87 63.48 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.525 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.7 mttt -83.03 154.41 67.29 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.58 0.705 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.477 ' O ' ' CD2' ' A' ' 42' ' ' LEU . 53.7 Cg_endo -69.77 99.42 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.674 2.249 . . . . 0.0 112.346 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 11.2 pt -109.56 167.26 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -96.72 146.66 24.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.07 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.653 HG22 ' O ' ' A' ' 65' ' ' GLU . 26.5 m -145.26 159.53 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.406 ' O ' ' NH2' ' A' ' 18' ' ' ARG . 20.7 mttt 46.65 51.43 12.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.838 HD11 ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -64.27 148.06 51.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 81' ' ' VAL . 27.6 m -157.34 121.49 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.177 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.703 ' HA ' HG12 ' A' ' 62' ' ' VAL . 17.4 tttm -58.33 129.91 44.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 7.3 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.109 179.912 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.8 mmm-85 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.746 0.308 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -105.79 155.03 19.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 26.8 p -117.88 141.08 48.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.158 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -146.4 -138.48 3.19 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.456 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.497 ' O ' HG13 ' A' ' 22' ' ' VAL . 2.0 p -154.52 123.16 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.781 0.325 . . . . 0.0 111.122 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.627 HD13 HG12 ' A' ' 33' ' ' ILE . 4.5 mm -53.33 93.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.09 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -67.15 -39.49 86.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.439 ' HE3' ' CG ' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -145.48 158.17 43.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.437 ' N ' ' HD2' ' A' ' 25' ' ' LYS . 6.2 tp -144.24 133.07 22.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.449 ' N ' HD12 ' A' ' 27' ' ' LEU . 2.8 mp -126.56 -173.63 2.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.53 -27.58 25.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.2 p -95.05 -23.65 17.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -176.53 -175.05 0.62 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.578 ' HA3' ' CE1' ' A' ' 44' ' ' PHE . . . -148.44 160.83 28.49 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.494 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -105.19 154.71 19.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.827 0.346 . . . . 0.0 110.881 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.816 HG21 ' CE1' ' A' ' 64' ' ' PHE . 43.5 mt -137.54 114.54 12.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.421 ' NE2' ' HG3' ' A' ' 41' ' ' ARG . 3.5 tp60 -83.69 103.9 13.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.479 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 58.4 m -51.78 137.48 25.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 56.3 m -98.64 2.27 47.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -110.85 -41.39 4.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.848 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.479 ' HG2' ' CB ' ' A' ' 35' ' ' CYS . 10.2 ptm180 -101.25 -14.16 17.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 63.83 44.77 4.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -127.3 138.88 53.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.084 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.421 ' HG3' ' NE2' ' A' ' 34' ' ' GLN . 15.4 mtp180 -80.85 102.65 10.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.554 HD12 ' CE2' ' A' ' 64' ' ' PHE . 11.4 mt -85.45 172.59 10.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.499 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -128.35 106.25 8.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.714 ' HB3' HD12 ' A' ' 33' ' ' ILE . 2.2 p90 -102.18 138.14 39.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.866 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -89.82 138.89 31.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 4.1 m -50.77 -17.4 0.54 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.8 t -79.13 -31.82 44.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.407 ' CD ' ' HA ' ' A' ' 78' ' ' VAL . 46.9 mm-40 -59.34 -54.53 45.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.419 ' HD2' HD22 ' A' ' 53' ' ' LEU . 21.9 t80 -53.59 121.58 8.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -76.86 -41.04 45.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.69 -145.11 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.474 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 53' ' ' LEU . 48.6 t30 -116.64 110.9 19.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.827 0.346 . . . . 0.0 110.875 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 52' ' ' ASN . 4.1 mm? -35.22 -39.47 0.11 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -47.13 -49.06 22.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -63.11 -37.61 87.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.839 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.854 HD11 HG11 ' A' ' 62' ' ' VAL . 9.1 tp -65.98 147.09 53.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.44 ' HG2' ' C ' ' A' ' 56' ' ' LEU . 9.3 mtmt -148.21 164.71 33.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.422 HG13 ' O ' ' A' ' 23' ' ' ILE . 39.9 t -80.59 99.62 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 130.7 -1.39 5.57 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.464 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -95.11 157.91 15.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.813 0.339 . . . . 0.0 110.823 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.02 138.76 32.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.854 HG11 HD11 ' A' ' 56' ' ' LEU . 0.9 OUTLIER -152.08 142.48 15.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.077 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.464 ' HB3' HG23 ' A' ' 81' ' ' VAL . 9.9 tt0 -99.32 130.44 45.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.864 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.816 ' CE1' HG21 ' A' ' 33' ' ' ILE . 15.7 p90 -138.63 176.76 8.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -122.07 121.92 38.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.5 t -70.67 118.59 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.106 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.433 ' O ' ' HA ' ' A' ' 75' ' ' PRO . 0.3 OUTLIER -122.5 178.09 5.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.875 -179.878 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 28.2 p -126.97 128.22 46.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -65.66 172.21 3.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -107.67 -3.97 18.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.1 mtp180 -109.8 -38.45 5.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 16.6 p -118.08 -15.19 9.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.106 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 60.39 15.85 40.52 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.477 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 35.0 mmtm -77.34 152.3 81.39 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.596 0.712 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.433 ' HA ' ' O ' ' A' ' 67' ' ' SER . 53.9 Cg_endo -69.77 105.58 1.51 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.705 2.27 . . . . 0.0 112.365 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 20.6 pt -115.97 148.86 18.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -84.71 143.13 29.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.055 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.407 ' HA ' ' CD ' ' A' ' 48' ' ' GLN . 30.3 m -145.97 164.7 9.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.118 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 6.3 mmtp 46.83 48.19 15.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.807 HD11 ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -61.9 154.07 27.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.955 179.898 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.514 HG13 ' O ' ' A' ' 80' ' ' LEU . 5.2 m -158.47 126.05 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.762 ' HA ' HG12 ' A' ' 62' ' ' VAL . 25.4 tttp -65.09 124.08 21.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.938 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 5.2 mt . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 179.889 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.2 mmm-85 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.823 0.344 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -95.29 153.75 17.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.502 HG22 ' HG3' ' A' ' 63' ' ' GLU . 30.3 p -126.31 142.93 51.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.139 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -153.46 -131.41 1.59 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.492 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.46 ' CG1' ' HB3' ' A' ' 34' ' ' GLN . 9.4 p -151.79 149.05 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.813 0.339 . . . . 0.0 111.111 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.758 ' O ' HG13 ' A' ' 58' ' ' VAL . 3.4 mm -76.12 95.23 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -68.75 -47.02 67.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.457 ' HD3' ' N ' ' A' ' 26' ' ' LEU . 1.3 tmtt? -143.74 151.66 40.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.457 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 2.5 tp -140.74 138.51 34.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.487 ' N ' HD12 ' A' ' 27' ' ' LEU . 3.9 mp -126.15 -174.57 3.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.9 m -81.82 -18.5 43.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.202 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.7 t -105.33 -39.93 6.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -159.35 -175.41 5.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.951 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.493 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -154.16 161.81 30.23 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.503 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -106.14 147.29 29.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.861 0.363 . . . . 0.0 110.863 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.906 ' CD1' HD11 ' A' ' 80' ' ' LEU . 24.2 mt -125.63 115.52 43.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.112 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.46 ' HB3' ' CG1' ' A' ' 22' ' ' VAL . 1.1 tp60 -73.42 109.41 6.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 72.1 m -64.42 132.18 49.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 68.3 m -96.53 3.78 52.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -107.58 -42.23 4.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.472 ' HB2' ' CZ ' ' A' ' 38' ' ' ARG . 3.3 ptm85 -105.33 -9.32 17.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 62.33 46.56 5.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -133.57 139.85 46.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.09 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.502 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 12.7 ptt85 -79.53 105.28 10.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.602 HD12 ' CE2' ' A' ' 64' ' ' PHE . 10.2 mt -82.55 170.97 14.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.519 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -126.36 103.94 7.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.617 ' HB3' HD12 ' A' ' 33' ' ' ILE . 1.8 p90 -99.43 139.69 34.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -93.77 141.46 28.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.478 ' HA ' HD21 ' A' ' 53' ' ' LEU . 17.3 p -50.08 -19.26 0.7 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 40.0 t -76.66 -33.44 58.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 49.0 mm-40 -61.63 -52.62 63.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.928 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -53.84 126.87 23.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.952 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -77.16 -46.63 22.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -60.66 -141.62 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.546 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -123.58 113.29 18.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.878 0.37 . . . . 0.0 110.848 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.478 HD21 ' HA ' ' A' ' 46' ' ' CYS . 3.4 mm? -39.13 -40.2 0.68 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.8 mm100 -46.62 -46.39 19.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.937 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -69.85 -37.43 76.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' A' ' 56' ' ' LEU . 10.2 tp -58.73 160.28 5.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.4 pttt -164.13 160.43 21.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.758 HG13 ' O ' ' A' ' 23' ' ' ILE . 90.1 t -76.08 128.13 37.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.145 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 105.09 16.7 15.84 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.505 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -121.61 139.33 53.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.834 0.35 . . . . 0.0 110.855 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.08 143.32 55.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.721 HG12 ' HA ' ' A' ' 82' ' ' LYS . 0.7 OUTLIER -152.35 144.24 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.502 ' HG3' HG22 ' A' ' 20' ' ' THR . 6.8 tt0 -101.02 136.97 40.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.861 ' CE1' HG21 ' A' ' 33' ' ' ILE . 14.6 p90 -148.82 176.74 10.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.916 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.664 ' O ' HG22 ' A' ' 78' ' ' VAL . 10.5 tt0 -122.42 121.57 36.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 86.5 t -72.66 124.03 28.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.15 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.9 t -133.54 177.32 7.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.858 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 71.2 m -109.82 132.63 53.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.871 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -68.27 171.59 6.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -108.5 3.26 22.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 73.4 mtm-85 -117.88 -40.73 2.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.925 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 19.9 p -118.01 -15.68 9.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.192 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 65.08 15.83 61.19 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.501 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.1 mmtp -78.11 152.64 79.52 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.578 0.704 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.428 ' O ' HD22 ' A' ' 42' ' ' LEU . 53.9 Cg_endo -69.78 101.12 0.88 Allowed 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.689 2.259 . . . . 0.0 112.33 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 10.0 pt -112.08 167.81 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -94.77 149.84 20.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.075 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.664 HG22 ' O ' ' A' ' 65' ' ' GLU . 27.1 m -149.24 158.48 6.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.159 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.6 mmtt 49.09 47.66 21.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.901 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.906 HD11 ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -61.01 153.49 25.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.917 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.462 ' O ' HG13 ' A' ' 81' ' ' VAL . 9.7 p -160.17 122.83 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.721 ' HA ' HG12 ' A' ' 62' ' ' VAL . 12.4 tttm -62.72 121.74 14.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.9 mt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.169 179.863 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 31.1 mmm-85 . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.774 0.321 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -97.21 151.47 19.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 34.2 p -117.84 141.42 48.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -148.57 -138.96 3.08 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.507 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.407 HG12 ' O ' ' A' ' 34' ' ' GLN . 7.4 p -150.99 139.24 14.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.79 0.329 . . . . 0.0 111.16 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.722 HD11 HG21 ' A' ' 62' ' ' VAL . 14.2 mm -66.23 90.5 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -63.42 -50.13 71.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.433 ' HD3' ' N ' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -142.2 155.42 45.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.943 179.906 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.433 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 2.5 tp -141.81 139.48 32.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.916 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.1 mp -126.81 -174.35 3.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.455 HG22 ' O ' ' A' ' 28' ' ' THR . 38.6 m -82.88 -13.12 56.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.099 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.9 m -111.42 -41.6 4.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -155.32 -175.01 5.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.587 ' O ' ' CD1' ' A' ' 44' ' ' PHE . . . -153.22 160.33 29.08 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.441 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -104.83 155.09 19.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.824 0.345 . . . . 0.0 110.904 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.794 ' CD1' HD11 ' A' ' 80' ' ' LEU . 33.2 mt -133.88 116.03 22.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.163 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.407 ' O ' HG12 ' A' ' 22' ' ' VAL . 5.5 tp60 -82.24 91.7 6.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.491 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 8.5 m -39.09 145.49 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.8 m -101.58 -8.38 21.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -104.63 -40.5 5.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.935 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.494 ' O ' ' NE2' ' A' ' 39' ' ' GLN . 11.2 ptm180 -104.94 6.62 33.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.494 ' NE2' ' O ' ' A' ' 38' ' ' ARG . 1.6 pp0? 37.02 49.29 0.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.942 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.417 ' HB3' ' CD ' ' A' ' 38' ' ' ARG . . . -124.67 135.92 53.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.07 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.9 mtt-85 -74.21 96.47 2.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.622 HD12 ' HE2' ' A' ' 64' ' ' PHE . 8.1 mt -83.2 170.11 15.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.468 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -128.05 111.33 13.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.922 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.711 ' HB3' HD12 ' A' ' 33' ' ' ILE . 2.1 p90 -107.24 141.3 38.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -94.46 141.92 28.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.848 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 12.8 p -53.61 -15.15 1.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.6 t -81.9 -29.18 32.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.818 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 58.4 mm-40 -64.04 -51.05 65.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.426 ' CE2' ' N ' ' A' ' 52' ' ' ASN . 16.3 t80 -53.76 123.43 12.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -76.4 -35.41 58.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.47 -136.73 0.12 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.485 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 53' ' ' LEU . 7.0 t-20 -129.97 110.51 11.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.822 0.344 . . . . 0.0 110.885 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 52' ' ' ASN . 2.6 mm? -34.16 -46.8 0.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 74.1 mm-40 -41.7 -49.26 4.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -65.05 -35.33 80.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.654 HD11 HG11 ' A' ' 62' ' ' VAL . 10.8 tp -69.3 162.24 27.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.1 pttt -162.7 162.85 27.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 25.2 t -74.53 122.31 27.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 104.72 21.71 8.96 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.482 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -121.75 144.84 48.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.826 0.346 . . . . 0.0 110.829 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.467 ' O ' HG13 ' A' ' 62' ' ' VAL . 1.3 m-20 -72.41 144.18 48.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.722 HG21 HD11 ' A' ' 23' ' ' ILE . 0.9 OUTLIER -157.18 142.47 8.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.129 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -97.29 138.21 35.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.653 ' HB3' HD12 ' A' ' 80' ' ' LEU . 4.7 p90 -148.46 176.78 10.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.565 ' O ' HG22 ' A' ' 78' ' ' VAL . 7.6 tp10 -122.66 119.16 29.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 80.3 t -72.56 119.15 18.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.119 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.1 t -131.68 177.78 7.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.6 t -109.86 138.81 45.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -75.97 167.12 22.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.855 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -103.19 -1.27 29.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -113.77 -40.64 3.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 56.4 p -114.66 -17.05 11.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.107 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 63.54 16.27 58.42 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.48 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 34.0 mttt -83.39 154.07 65.9 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.527 0.68 . . . . 0.0 110.934 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 99.33 0.74 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.665 2.243 . . . . 0.0 112.349 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 9.6 pt -110.27 164.75 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -92.48 144.29 25.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.565 HG22 ' O ' ' A' ' 65' ' ' GLU . 16.9 m -145.07 156.1 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.094 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.458 ' HE2' HG23 ' A' ' 78' ' ' VAL . 13.5 mtmm 52.69 50.55 17.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.794 HD11 ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -65.33 149.65 49.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.403 HG13 ' O ' ' A' ' 80' ' ' LEU . 30.0 m -156.79 130.51 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.661 ' HA ' HG12 ' A' ' 62' ' ' VAL . 6.5 tttm -65.44 132.86 50.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.0 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.16 179.807 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.445 ' NH2' ' O ' ' A' ' 79' ' ' LYS . 10.7 mmm180 . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.78 0.324 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -110.45 152.71 25.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.4 p -123.21 148.53 45.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -151.52 -131.46 1.77 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.459 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.4 p -156.93 130.82 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.787 0.327 . . . . 0.0 111.142 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 1.012 HD11 HG21 ' A' ' 62' ' ' VAL . 27.7 mm -61.19 92.71 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -71.19 -41.01 70.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.482 ' HD3' ' N ' ' A' ' 26' ' ' LEU . 7.3 tmtm? -144.44 152.97 41.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.482 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 3.6 tp -145.84 136.84 24.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.462 ' N ' HD12 ' A' ' 27' ' ' LEU . 2.6 mp -129.57 -174.72 3.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.915 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 92.8 m -77.81 -31.07 51.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.154 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -89.38 -43.81 10.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.872 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -161.97 -178.66 6.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.938 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.515 ' O ' ' CD1' ' A' ' 44' ' ' PHE . . . -144.4 166.12 27.31 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.492 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -109.3 148.92 30.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.819 0.342 . . . . 0.0 110.883 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.83 ' CD1' HD11 ' A' ' 80' ' ' LEU . 37.1 mt -126.59 117.13 47.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.185 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.475 ' NE2' ' HG3' ' A' ' 41' ' ' ARG . 3.7 tp60 -85.76 91.5 8.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.504 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 13.9 m -42.32 145.42 0.39 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.7 m -103.83 -3.95 24.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -106.62 -41.27 5.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.916 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.509 ' O ' ' CG ' ' A' ' 39' ' ' GLN . 14.7 ptp180 -102.06 -2.9 28.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.509 ' CG ' ' O ' ' A' ' 38' ' ' ARG . 15.6 pt20 47.76 43.08 16.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.948 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.65 134.97 54.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.475 ' HG3' ' NE2' ' A' ' 34' ' ' GLN . 34.4 mtm180 -74.29 98.75 3.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.803 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.506 HD12 ' CE1' ' A' ' 64' ' ' PHE . 11.2 mt -85.5 161.77 19.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.495 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -122.19 110.26 15.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.911 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.623 ' HB3' HD12 ' A' ' 33' ' ' ILE . 2.5 p90 -104.82 140.33 38.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -94.13 141.18 28.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.454 ' HA ' HD21 ' A' ' 53' ' ' LEU . 6.6 p -51.66 -19.72 1.7 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 48.2 t -76.08 -33.11 59.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 58.8 mm-40 -61.02 -51.33 69.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.462 ' HD2' HD22 ' A' ' 53' ' ' LEU . 20.3 t80 -53.52 130.09 34.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -79.47 -46.11 18.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -63.35 -139.41 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.485 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' ' 53' ' ' LEU . 4.4 m120 -124.7 110.5 14.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.836 0.351 . . . . 0.0 110.899 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.462 HD22 ' HD2' ' A' ' 49' ' ' TYR . 4.1 mm? -34.25 -38.86 0.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.919 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 19.6 mm100 -45.89 -50.04 14.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -64.3 -37.5 87.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.754 HD11 HG11 ' A' ' 62' ' ' VAL . 10.9 tp -63.98 155.45 30.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.2 pttt -158.27 162.86 37.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.551 HG13 ' O ' ' A' ' 23' ' ' ILE . 52.9 t -75.32 129.13 37.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.12 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.7 19.89 18.68 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -120.14 154.72 34.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.813 0.339 . . . . 0.0 110.857 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -82.45 141.99 32.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.805 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 1.012 HG21 HD11 ' A' ' 23' ' ' ILE . 0.7 OUTLIER -153.67 143.02 14.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -99.59 133.97 43.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.781 ' CE2' HG21 ' A' ' 33' ' ' ILE . 25.5 p90 -143.0 174.49 10.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.67 ' O ' HG22 ' A' ' 78' ' ' VAL . 7.9 tp10 -121.01 119.58 32.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 98.3 t -72.68 126.43 33.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.17 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.1 t -134.14 176.55 8.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.834 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.4 p -114.13 107.86 16.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.868 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.431 ' HA ' ' NH2' ' A' ' 70' ' ' ARG . 28.7 t70 -49.23 168.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.854 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.431 ' NH2' ' HA ' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -105.72 -16.73 14.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.903 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 49.0 mmt-85 -94.89 -52.4 4.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 45.6 p -100.44 -21.52 15.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 66.3 16.68 65.19 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.7 mtmt -87.43 154.59 54.05 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.605 0.717 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.77 101.91 0.97 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.696 2.264 . . . . 0.0 112.316 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.0 pt -115.59 163.38 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.171 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -92.13 146.67 23.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.67 HG22 ' O ' ' A' ' 65' ' ' GLU . 10.4 m -143.06 161.59 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.445 ' O ' ' NH2' ' A' ' 18' ' ' ARG . 12.3 mtmm 46.4 50.06 12.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.859 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.83 HD11 ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -61.05 147.45 43.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.952 179.883 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 81' ' ' VAL . 20.2 m -155.12 120.54 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.165 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.66 ' HA ' HG12 ' A' ' 62' ' ' VAL . 14.3 tttt -59.64 131.35 50.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.5 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.137 179.859 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 37.9 mmm-85 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.801 0.334 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -103.38 154.81 19.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 53.5 p -122.68 139.99 53.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.108 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -149.44 -134.71 2.37 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.48 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.513 ' O ' ' N ' ' A' ' 34' ' ' GLN . 9.8 p -152.35 144.31 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.804 0.335 . . . . 0.0 111.123 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.837 HD13 HG12 ' A' ' 33' ' ' ILE . 9.9 mm -74.47 94.08 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.181 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -70.13 -44.08 69.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.606 ' HD2' HD11 ' A' ' 27' ' ' LEU . 8.2 tmtm? -141.29 150.73 42.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.477 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 2.5 tp -144.62 139.84 28.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.939 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.606 HD11 ' HD2' ' A' ' 25' ' ' LYS . 4.7 mp -133.92 -175.69 3.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.2 m -77.22 -28.67 53.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.6 m -91.07 -42.07 10.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.821 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -164.59 -176.56 4.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.936 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.583 ' O ' ' CD1' ' A' ' 44' ' ' PHE . . . -153.04 162.04 29.91 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.531 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -102.54 158.26 16.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.827 0.346 . . . . 0.0 110.887 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.903 HG21 ' CE1' ' A' ' 64' ' ' PHE . 46.2 mt -137.45 107.94 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.072 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.513 ' N ' ' O ' ' A' ' 22' ' ' VAL . 0.3 OUTLIER -71.96 101.5 2.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 179.896 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.501 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 1.1 t -52.34 140.42 21.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 73.4 m -96.04 8.43 43.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -121.4 -40.46 2.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.612 ' CD ' ' HB3' ' A' ' 40' ' ' ALA . 5.9 ptm180 -102.44 -1.87 29.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 46.33 52.08 10.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.612 ' HB3' ' CD ' ' A' ' 38' ' ' ARG . . . -136.09 132.92 36.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.502 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 16.0 ptt85 -73.98 100.35 3.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.863 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.588 HD12 ' CE2' ' A' ' 64' ' ' PHE . 12.6 mt -81.1 167.87 19.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.48 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -120.78 104.61 10.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.583 ' CD1' ' O ' ' A' ' 31' ' ' GLY . 1.9 p90 -103.36 136.5 43.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.88 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -87.71 139.28 30.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 30.6 m -52.9 -15.77 0.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 40.5 t -78.89 -32.59 45.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.9 mm-40 -60.82 -53.09 61.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.926 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.431 ' HD2' HD22 ' A' ' 53' ' ' LEU . 13.9 t80 -50.44 124.78 11.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -78.74 -38.59 38.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.84 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -64.74 -138.56 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.505 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' ' 53' ' ' LEU . 3.6 p-10 -128.32 111.87 13.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.885 0.374 . . . . 0.0 110.886 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 52' ' ' ASN . 4.1 mm? -34.23 -42.78 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -44.52 -49.53 9.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -67.2 -37.27 83.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.818 HD11 HG11 ' A' ' 62' ' ' VAL . 11.0 tp -67.98 149.01 50.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.9 pttt -156.29 164.57 38.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.68 HG13 ' O ' ' A' ' 23' ' ' ILE . 85.4 t -75.23 118.86 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.106 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 110.51 19.83 7.69 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.512 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -122.14 139.76 53.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.783 0.325 . . . . 0.0 110.876 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -67.4 138.6 56.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.818 HG11 HD11 ' A' ' 56' ' ' LEU . 1.6 m -151.85 141.69 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.158 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.442 ' HB3' HG23 ' A' ' 81' ' ' VAL . 6.7 tt0 -98.84 132.24 44.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.903 ' CE1' HG21 ' A' ' 33' ' ' ILE . 20.0 p90 -141.92 176.78 8.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.837 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.437 ' O ' HG22 ' A' ' 78' ' ' VAL . 5.3 tp10 -122.27 127.69 50.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.863 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 90.8 t -80.4 115.9 23.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.13 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.8 m -127.6 178.98 5.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 41.7 p -112.39 135.89 52.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -71.25 168.98 16.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.846 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -99.57 2.5 44.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 32.6 mtp180 -117.16 -49.91 2.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.406 ' OG1' ' CG ' ' A' ' 74' ' ' LYS . 11.6 p -110.56 -12.33 14.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.168 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 60.86 10.68 20.44 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.482 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.406 ' CG ' ' OG1' ' A' ' 72' ' ' THR . 17.9 mmtp -68.09 152.08 96.73 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.574 0.702 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.427 ' O ' HD22 ' A' ' 42' ' ' LEU . 53.4 Cg_endo -69.76 100.21 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.663 2.242 . . . . 0.0 112.357 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 10.9 pt -112.51 165.47 7.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.189 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -92.31 148.55 22.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.437 HG22 ' O ' ' A' ' 65' ' ' GLU . 28.2 m -149.74 157.39 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.122 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.406 ' HE3' HG23 ' A' ' 78' ' ' VAL . 23.3 mtmt 51.36 47.05 25.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.843 HD11 ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -59.7 152.52 22.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.905 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.593 HG13 ' O ' ' A' ' 80' ' ' LEU . 13.5 m -161.35 120.73 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.11 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.665 ' HA ' HG12 ' A' ' 62' ' ' VAL . 22.1 tttt -60.14 128.19 35.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.5 mt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.917 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.7 mmm-85 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.758 0.313 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -103.03 154.35 19.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 39.3 p -120.52 142.49 49.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.161 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -151.05 -136.04 2.44 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.497 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.487 HG12 ' O ' ' A' ' 34' ' ' GLN . 9.9 p -151.47 146.02 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.76 0.314 . . . . 0.0 111.151 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.871 HD13 HG12 ' A' ' 33' ' ' ILE . 13.9 mm -79.0 95.92 2.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -71.38 -46.3 60.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.47 ' HD3' ' N ' ' A' ' 26' ' ' LEU . 0.5 OUTLIER -136.11 154.32 51.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.47 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 4.5 tp -146.13 136.15 23.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.944 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.401 HD12 ' N ' ' A' ' 27' ' ' LEU . 3.6 mp -127.65 -175.48 3.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.5 m -80.31 -25.78 39.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.119 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.0 t -96.0 -37.98 10.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -163.21 -176.32 4.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.556 ' O ' ' CD1' ' A' ' 44' ' ' PHE . . . -150.25 162.74 29.33 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.492 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -106.12 150.24 26.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.779 0.323 . . . . 0.0 110.886 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.872 HG21 ' CE1' ' A' ' 64' ' ' PHE . 30.4 mt -129.82 113.31 26.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.487 ' O ' HG12 ' A' ' 22' ' ' VAL . 7.5 tp60 -77.43 101.74 6.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 6.9 m -53.86 147.51 11.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.4 m -111.07 -4.7 14.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -104.03 -41.8 5.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -100.37 -10.67 20.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 59.47 49.03 9.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -137.18 136.14 37.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.113 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.2 mtm180 -74.21 104.67 5.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.565 HD12 ' HE2' ' A' ' 64' ' ' PHE . 10.3 mt -86.62 160.94 18.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.513 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -118.15 106.6 13.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 179.919 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.747 ' HB3' HD12 ' A' ' 33' ' ' ILE . 2.3 p90 -101.88 140.97 35.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -94.56 139.79 30.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 21.1 m -51.61 -20.95 2.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 40.2 t -75.29 -32.65 61.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.8 mm-40 -60.95 -53.34 58.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.936 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -52.0 120.22 5.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 -74.5 -38.17 62.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -63.81 -142.01 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.477 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.43 ' O ' ' C ' ' A' ' 53' ' ' LEU . 1.3 p-10 -125.2 112.96 17.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.828 0.347 . . . . 0.0 110.921 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' A' ' 52' ' ' ASN . 4.0 mm? -35.87 -38.67 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.957 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -47.78 -48.79 30.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.25 -35.09 75.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.889 HD11 HG11 ' A' ' 62' ' ' VAL . 10.4 tp -69.99 152.94 43.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.438 ' CG ' ' OD2' ' A' ' 60' ' ' ASP . 12.0 ptpt -157.75 176.7 12.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.574 HG13 ' O ' ' A' ' 23' ' ' ILE . 86.8 t -87.97 123.49 40.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.127 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 103.74 21.37 9.76 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.535 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.438 ' OD2' ' CG ' ' A' ' 57' ' ' LYS . 45.1 m-20 -121.7 145.92 47.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.833 0.349 . . . . 0.0 110.829 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.528 ' HB3' HD12 ' A' ' 83' ' ' ILE . 0.9 OUTLIER -71.54 137.27 47.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.889 HG11 HD11 ' A' ' 56' ' ' LEU . 1.6 m -151.34 141.84 15.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.435 ' HB3' HG23 ' A' ' 81' ' ' VAL . 5.9 tt0 -99.97 133.77 43.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.872 ' CE1' HG21 ' A' ' 33' ' ' ILE . 13.7 p90 -141.96 176.74 8.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.716 ' O ' HG22 ' A' ' 78' ' ' VAL . 2.8 tt0 -122.86 119.67 31.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 67.0 t -72.41 119.84 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.108 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' A' ' 75' ' ' PRO . 2.1 m -123.7 176.37 6.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 53.5 p -115.32 108.81 17.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -47.32 173.93 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.582 ' HE ' ' N ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -111.69 -12.88 13.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.941 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.3 mmt85 -98.61 -46.71 5.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 58.4 p -109.51 -16.22 14.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.186 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 64.0 15.79 58.77 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.0 mmtm -82.51 152.6 67.29 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.559 0.695 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.406 ' HA ' ' O ' ' A' ' 67' ' ' SER . 53.9 Cg_endo -69.73 107.89 1.95 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.667 2.245 . . . . 0.0 112.382 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 12.1 pt -119.89 166.34 14.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.198 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.56 150.42 21.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.716 HG22 ' O ' ' A' ' 65' ' ' GLU . 31.6 m -151.69 154.52 8.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 22.5 mttt 52.1 46.07 27.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.807 HD11 ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -57.91 152.28 16.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.939 179.928 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.435 HG23 ' HB3' ' A' ' 63' ' ' GLU . 0.1 OUTLIER -156.87 123.37 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.164 179.866 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.735 ' HA ' HG12 ' A' ' 62' ' ' VAL . 15.5 tttp -63.9 125.99 26.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.528 HD12 ' HB3' ' A' ' 61' ' ' ASP . 3.8 mt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.168 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.5 mmm-85 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.755 0.312 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -95.55 154.73 17.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 20.9 p -126.11 140.77 52.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -151.42 -130.27 1.64 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.491 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.9 p -153.14 143.33 14.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.782 0.325 . . . . 0.0 111.13 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.559 ' O ' HG13 ' A' ' 58' ' ' VAL . 4.1 mm -68.28 94.98 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.451 ' OE1' ' CB ' ' A' ' 34' ' ' GLN . 15.4 tp10 -68.02 -48.54 65.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -141.19 153.33 45.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.0 tp -143.04 138.5 30.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.983 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.8 mp -126.5 -175.01 3.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 55.9 m -80.63 -16.69 53.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.3 m -106.47 -39.3 5.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -162.39 -178.97 6.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.592 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -148.11 161.44 28.59 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.467 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.445 ' CE2' ' HB2' ' A' ' 43' ' ' PHE . 71.0 m-85 -107.02 146.17 31.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.786 0.327 . . . . 0.0 110.894 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.795 ' CD1' HD11 ' A' ' 80' ' ' LEU . 19.5 mt -123.06 119.77 58.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.123 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.451 ' CB ' ' OE1' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -79.83 103.89 10.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.914 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.495 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 69.0 m -59.92 116.05 3.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.2 m -80.88 5.96 14.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -108.91 -45.15 3.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.926 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.643 ' HD3' ' HB3' ' A' ' 40' ' ' ALA . 7.2 ptm180 -98.4 -10.52 23.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.902 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 63.12 45.91 4.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.643 ' HB3' ' HD3' ' A' ' 38' ' ' ARG . . . -135.96 143.5 44.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.082 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.508 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 10.2 ptt85 -84.59 104.71 14.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.651 HD12 ' CE1' ' A' ' 64' ' ' PHE . 10.8 mt -83.71 172.15 12.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.544 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -127.02 106.17 9.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.875 179.897 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.592 ' CD2' ' O ' ' A' ' 31' ' ' GLY . 1.8 p90 -101.5 140.41 35.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -94.56 140.98 29.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.829 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.469 ' HA ' HD21 ' A' ' 53' ' ' LEU . 16.2 p -51.99 -19.08 1.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 35.0 t -78.08 -31.31 50.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -62.67 -50.41 71.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.931 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.487 ' HD2' HD22 ' A' ' 53' ' ' LEU . 11.6 t80 -55.1 127.6 29.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.932 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -77.76 -36.29 50.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -73.07 -142.56 0.53 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.46 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -122.21 118.95 29.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.798 0.332 . . . . 0.0 110.908 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.487 HD22 ' HD2' ' A' ' 49' ' ' TYR . 4.0 mm? -44.7 -33.31 1.8 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.936 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -52.53 -41.77 63.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -73.01 -36.11 66.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.644 HD11 HG11 ' A' ' 62' ' ' VAL . 11.2 tp -65.35 163.56 15.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.0 ptmm? -167.34 162.16 14.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.854 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.559 HG13 ' O ' ' A' ' 23' ' ' ILE . 42.9 t -76.51 118.35 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 114.48 16.69 7.47 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.495 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -122.41 147.64 46.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.823 0.344 . . . . 0.0 110.843 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.53 143.85 44.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.652 HG12 ' HA ' ' A' ' 82' ' ' LYS . 0.3 OUTLIER -154.44 142.92 13.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.656 ' HB3' HG23 ' A' ' 81' ' ' VAL . 6.6 tt0 -97.93 137.5 36.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.651 ' CE1' HD12 ' A' ' 42' ' ' LEU . 39.2 p90 -147.9 176.69 9.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.455 ' O ' HG22 ' A' ' 78' ' ' VAL . 7.6 tp10 -123.13 129.01 50.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 84.8 t -80.25 117.55 26.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.168 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.1 t -132.05 176.51 8.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.7 p -109.47 133.46 53.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -67.24 169.36 8.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -102.33 -0.11 33.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.856 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.4 mmm180 -117.65 -40.31 3.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 67.3 p -117.4 -9.84 10.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 54.95 19.76 16.46 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.479 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.2 mmmt -79.1 153.34 77.22 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.563 0.697 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.458 ' O ' HD22 ' A' ' 42' ' ' LEU . 54.2 Cg_endo -69.76 95.91 0.57 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.673 2.248 . . . . 0.0 112.37 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 9.4 pt -110.17 168.61 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -94.25 153.12 18.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' ' 65' ' ' GLU . 27.0 m -152.84 157.89 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.119 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.4 mmpt? 50.76 48.13 23.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.795 HD11 ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -60.7 157.25 15.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.878 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.735 HG13 ' O ' ' A' ' 80' ' ' LEU . 3.4 m -164.85 122.47 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.092 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.652 ' HA ' HG12 ' A' ' 62' ' ' VAL . 25.4 tttt -61.96 124.41 20.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.3 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 179.906 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -158.58 175.32 13.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.894 0.378 . . . . 0.0 110.882 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.2 p -115.32 171.01 7.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.817 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.79 158.51 7.83 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.484 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.3 m -119.11 82.37 1.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.928 0.394 . . . . 0.0 110.885 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.7 p 45.34 43.69 8.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.873 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 44.36 -114.49 1.05 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.488 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -152.77 83.76 0.16 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.455 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.533 ' HA ' ' C ' ' A' ' 10' ' ' PRO . 5.3 p90 -38.34 156.82 0.11 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.655 0.74 . . . . 0.0 110.902 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 9' ' ' TYR . 53.6 Cg_endo -69.77 150.35 90.03 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.698 -1.792 . . . . 0.0 112.371 -0.067 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -107.02 160.64 15.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 63.28 158.98 0.2 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.466 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 92.3 m -46.02 -56.84 5.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.832 0.348 . . . . 0.0 111.108 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 73.2 m -73.46 112.87 9.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.22 178.34 8.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.085 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -106.71 121.33 44.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.058 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.635 HD22 ' N ' ' A' ' 18' ' ' ARG . 1.5 tm? -104.15 123.7 47.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.635 ' N ' HD22 ' A' ' 17' ' ' LEU . 10.6 mmm180 -92.65 133.32 36.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.673 ' OE1' HG21 ' A' ' 66' ' ' VAL . 13.0 mt-10 -106.08 154.14 21.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.1 p -129.64 138.64 51.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.131 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -149.05 -124.59 1.35 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.494 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.8 p -158.01 151.28 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.848 0.356 . . . . 0.0 111.118 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.496 HD13 HG12 ' A' ' 33' ' ' ILE . 8.5 mm -78.81 93.2 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.145 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -69.18 -48.18 62.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.456 ' HD3' ' N ' ' A' ' 26' ' ' LEU . 6.6 tmtm? -135.62 152.07 50.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.456 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 2.6 tp -145.5 138.77 26.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.454 ' N ' HD12 ' A' ' 27' ' ' LEU . 3.1 mp -131.49 -177.41 4.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.958 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 88.2 m -76.54 -25.41 54.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 t -94.81 -40.64 9.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.833 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -165.54 -175.02 3.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.418 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -150.24 166.09 29.98 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.521 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.401 ' CD1' ' N ' ' A' ' 32' ' ' PHE . 6.4 m-85 -111.37 143.5 42.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.825 0.345 . . . . 0.0 110.905 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.944 ' CD1' HD11 ' A' ' 80' ' ' LEU . 21.9 mt -120.05 117.8 54.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.42 103.0 7.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.921 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.49 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 74.3 m -60.1 117.36 5.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.8 m -85.9 10.79 12.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -112.41 -42.32 3.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.49 ' HG2' ' CB ' ' A' ' 35' ' ' CYS . 3.1 ptm85 -102.62 -7.22 21.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 63.08 38.86 10.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -130.16 144.25 51.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.09 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.501 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 8.8 ptt85 -85.76 110.51 19.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.634 HD12 ' CE2' ' A' ' 64' ' ' PHE . 10.4 mt -88.9 166.76 13.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.544 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -123.25 103.78 8.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.583 ' HB3' HD12 ' A' ' 33' ' ' ILE . 2.3 p90 -98.74 139.48 34.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -92.95 141.8 28.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.83 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 14.0 p -49.11 -21.8 0.81 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.1 t -75.65 -33.02 60.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 42.0 mm-40 -58.87 -53.45 58.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.464 ' HD2' HD22 ' A' ' 53' ' ' LEU . 21.2 t80 -52.96 124.07 13.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.468 ' ND2' HG12 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -76.28 -41.73 47.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -66.63 -140.44 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.479 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 53' ' ' LEU . 1.4 p-10 -124.23 111.91 16.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.891 0.376 . . . . 0.0 110.86 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.464 HD22 ' HD2' ' A' ' 49' ' ' TYR . 4.1 mm? -36.87 -36.33 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.931 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.9 mm100 -46.55 -48.16 19.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -68.18 -38.08 81.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.687 HD11 HG11 ' A' ' 62' ' ' VAL . 10.7 tp -63.1 158.55 19.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.941 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -161.14 165.03 30.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.486 ' HA ' HG22 ' A' ' 23' ' ' ILE . 39.4 t -77.97 114.49 18.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 114.64 21.73 5.32 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.476 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -125.41 139.35 53.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.851 0.358 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -66.86 145.85 55.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.687 HG11 HD11 ' A' ' 56' ' ' LEU . 0.6 OUTLIER -154.81 142.39 12.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.092 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.561 ' HB3' HG23 ' A' ' 81' ' ' VAL . 6.6 tt0 -97.32 136.61 37.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.929 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.844 ' CE1' HG21 ' A' ' 33' ' ' ILE . 18.2 p90 -147.88 176.33 10.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.491 ' O ' HG22 ' A' ' 78' ' ' VAL . 7.5 tp10 -121.4 122.15 39.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.673 HG21 ' OE1' ' A' ' 19' ' ' GLU . 96.5 t -73.71 119.85 21.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.151 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.413 ' O ' ' HA ' ' A' ' 75' ' ' PRO . 1.7 m -127.4 176.97 7.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.82 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.9 m -117.53 119.76 36.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -58.06 174.7 0.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.836 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.588 ' HE ' ' N ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -112.23 -12.05 13.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.883 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.1 mtm105 -99.74 -37.9 8.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 18.4 p -118.54 -16.46 9.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.159 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 63.22 16.99 58.67 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.462 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.6 mmtp -83.27 152.0 63.83 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.581 0.705 . . . . 0.0 110.936 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.413 ' HA ' ' O ' ' A' ' 67' ' ' SER . 53.6 Cg_endo -69.78 102.59 1.05 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.724 2.283 . . . . 0.0 112.317 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.2 pt -116.3 158.19 16.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.116 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -86.47 153.64 21.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.054 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.491 HG22 ' O ' ' A' ' 65' ' ' GLU . 27.4 m -151.48 159.56 4.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.17 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? 47.05 48.26 15.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.944 HD11 ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -59.51 150.42 26.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.948 179.89 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.561 HG23 ' HB3' ' A' ' 63' ' ' GLU . 5.8 m -156.74 121.89 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.682 ' HA ' HG12 ' A' ' 62' ' ' VAL . 22.6 tttt -58.52 131.07 49.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.9 mt -69.97 -50.16 50.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.119 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 86.4 p -79.94 119.1 22.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 150.71 65.64 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.543 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 3.59 2.68 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.677 2.251 . . . . 0.0 112.311 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.4 m -56.02 142.51 35.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.7 t -56.77 175.18 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.816 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.506 179.978 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.9 t -125.59 128.18 47.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.897 0.379 . . . . 0.0 110.869 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.1 p -58.93 100.88 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.836 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.44 137.05 19.12 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.476 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.0 m -117.79 82.65 1.86 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.836 0.351 . . . . 0.0 110.886 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m -103.96 112.02 24.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 46.83 -104.98 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.437 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 100.66 61.32 0.8 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.534 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.525 ' HA ' ' C ' ' A' ' 10' ' ' PRO . 2.8 p90 -95.97 157.9 35.05 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.658 0.742 . . . . 0.0 110.976 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 9' ' ' TYR . 54.4 Cg_endo -69.75 142.9 72.21 Favored 'Cis proline' 0 C--N 1.341 0.176 0 C-N-CA 122.629 -1.821 . . . . 0.0 112.357 -0.109 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -47.94 118.19 2.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.835 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -150.05 -140.41 3.22 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.488 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 72.5 p -80.06 160.19 25.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.787 0.327 . . . . 0.0 111.168 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.1 m -50.37 172.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.831 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.27 -179.11 0.73 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.078 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -78.32 170.14 17.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.07 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.931 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -171.39 144.91 2.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.554 ' N ' HD22 ' A' ' 17' ' ' LEU . 28.8 mmm-85 -77.75 120.9 23.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.727 ' OE2' HD11 ' A' ' 17' ' ' LEU . 10.7 mm-40 -95.89 154.81 17.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.481 HG22 ' HG3' ' A' ' 63' ' ' GLU . 24.4 p -122.94 145.26 48.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.107 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -151.24 -133.63 2.06 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.493 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.8 p -154.08 136.92 7.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.818 0.342 . . . . 0.0 111.14 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.861 HD13 HG12 ' A' ' 33' ' ' ILE . 22.6 mm -68.8 92.68 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.144 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -69.61 -39.41 77.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.462 ' HD3' ' N ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -142.49 154.54 44.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.462 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 4.3 tp -147.77 136.2 21.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.407 ' N ' HD12 ' A' ' 27' ' ' LEU . 4.2 mp -127.53 -175.08 3.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 43.0 m -78.47 -28.5 46.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.185 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.4 m -92.8 -41.3 10.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -161.65 -176.22 5.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.93 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.513 ' O ' ' CD1' ' A' ' 44' ' ' PHE . . . -148.26 166.13 29.02 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.483 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -107.56 155.65 19.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.827 0.346 . . . . 0.0 110.873 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.887 HG21 ' CE1' ' A' ' 64' ' ' PHE . 27.6 mt -135.42 112.99 14.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.15 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -79.72 94.7 5.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.485 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 84.9 m -42.69 135.46 2.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.5 m -97.1 1.69 50.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.874 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -110.05 -41.31 4.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.485 ' HG2' ' CB ' ' A' ' 35' ' ' CYS . 9.4 ptm180 -103.72 -1.49 27.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.44 ' OE1' ' C ' ' A' ' 38' ' ' ARG . 3.2 mp0 51.12 47.86 24.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.959 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.402 ' HB3' ' CD ' ' A' ' 38' ' ' ARG . . . -127.68 144.67 51.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.078 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.6 mtt180 -84.25 100.28 11.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.585 HD12 ' HE2' ' A' ' 64' ' ' PHE . 8.4 mt -85.15 168.34 14.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.547 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -126.61 106.6 9.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.74 ' HB3' HD12 ' A' ' 33' ' ' ILE . 2.4 p90 -101.53 140.17 36.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -93.1 140.72 29.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 8.7 p -53.17 -15.67 0.97 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.906 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.7 m -80.77 -31.44 35.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 66.1 mm-40 -63.12 -49.67 73.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.494 ' HD2' HD22 ' A' ' 53' ' ' LEU . 14.1 t80 -52.61 127.77 23.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.951 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -82.84 -32.14 27.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.855 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.14 -133.8 0.16 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.46 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.485 ' N ' ' OD1' ' A' ' 52' ' ' ASN . 0.5 OUTLIER -131.91 110.59 10.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.895 0.379 . . . . 0.0 110.866 -179.909 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.494 HD22 ' HD2' ' A' ' 49' ' ' TYR . 4.1 mm? -39.49 -47.01 1.8 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.47 ' CG ' ' HB2' ' A' ' 52' ' ' ASN . 7.5 pt20 -43.66 -42.41 5.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -73.34 -34.88 65.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.457 HD11 HG11 ' A' ' 62' ' ' VAL . 11.1 tp -65.6 162.64 17.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.3 pttt -162.48 159.74 25.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.75 HG13 ' O ' ' A' ' 23' ' ' ILE . 99.7 t -74.75 120.25 23.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 112.79 16.4 8.63 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.488 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -120.5 141.29 50.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.825 0.345 . . . . 0.0 110.878 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.428 ' O ' HG13 ' A' ' 62' ' ' VAL . 1.8 m-20 -68.88 144.87 54.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.722 HG12 ' HA ' ' A' ' 82' ' ' LYS . 0.5 OUTLIER -156.03 142.25 10.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.481 ' HG3' HG22 ' A' ' 20' ' ' THR . 9.1 tt0 -97.72 136.71 37.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.887 ' CE1' HG21 ' A' ' 33' ' ' ILE . 13.6 p90 -148.27 176.66 10.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.859 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.59 ' O ' HG22 ' A' ' 78' ' ' VAL . 1.5 tt0 -121.44 121.55 37.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.463 HG22 HD11 ' A' ' 42' ' ' LEU . 86.8 t -73.17 123.17 27.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.107 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.7 t -133.66 178.89 6.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 73.6 m -114.8 134.73 54.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.812 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -70.42 176.57 3.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.839 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -108.75 -8.57 15.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.0 mtm180 -112.53 -27.35 8.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 45.5 p -126.26 -13.89 6.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.142 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 54.43 13.92 4.38 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.488 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.0 mmtp -75.57 152.86 85.47 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.568 0.699 . . . . 0.0 110.915 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.479 ' O ' HD22 ' A' ' 42' ' ' LEU . 53.7 Cg_endo -69.71 95.46 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.726 2.284 . . . . 0.0 112.326 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 10.2 pt -107.8 163.28 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.137 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -93.89 143.29 26.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.59 HG22 ' O ' ' A' ' 65' ' ' GLU . 30.2 m -142.23 166.84 15.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.081 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? 43.73 51.24 6.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.836 HD11 ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -64.73 153.07 40.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.922 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 81' ' ' VAL . 33.7 m -157.97 125.51 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.172 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.722 ' HA ' HG12 ' A' ' 62' ' ' VAL . 10.7 tttp -64.45 123.2 18.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.9 mt -62.6 -52.78 55.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.091 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 14.7 t -112.25 131.95 55.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.862 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 169.5 74.18 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.449 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 133.79 26.28 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.646 2.231 . . . . 0.0 112.317 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 58.8 p -102.9 137.01 41.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 89' ' ' GLY . 80.3 p -84.24 99.03 10.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.862 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 88' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.473 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.2 t -87.45 108.47 19.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.877 0.37 . . . . 0.0 110.893 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.0 m -158.13 166.23 32.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.863 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.35 -148.32 8.49 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.513 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -159.84 109.82 1.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.876 0.369 . . . . 0.0 110.834 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.7 m -51.1 141.21 14.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.882 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.24 51.26 4.75 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.448 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -58.87 -114.12 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.472 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.528 ' HA ' ' C ' ' A' ' 10' ' ' PRO . 31.8 p90 -105.95 153.74 39.93 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.692 0.758 . . . . 0.0 110.915 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 9' ' ' TYR . 53.7 Cg_endo -69.78 147.12 84.03 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.674 -1.802 . . . . 0.0 112.34 -0.045 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -106.31 106.37 16.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 118.51 173.79 15.99 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.473 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.0 m -86.1 -55.56 3.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.84 0.352 . . . . 0.0 111.144 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 27.4 t -76.44 125.7 29.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -132.55 157.81 43.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.073 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -108.94 173.06 6.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.137 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.85 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.8 OUTLIER -173.1 110.6 0.2 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.875 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.472 ' N ' HD22 ' A' ' 17' ' ' LEU . 23.7 mmm-85 -69.46 122.32 18.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.404 ' CD ' ' CD1' ' A' ' 17' ' ' LEU . 11.6 mm-40 -98.37 153.94 18.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.2 p -122.75 140.74 52.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.145 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -149.62 -132.12 2.02 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.482 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.41 ' O ' ' N ' ' A' ' 34' ' ' GLN . 2.7 p -154.31 141.0 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.865 0.364 . . . . 0.0 111.1 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.76 HD13 HG12 ' A' ' 33' ' ' ILE . 5.6 mm -70.62 93.53 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.168 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -67.45 -43.6 80.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.519 ' HD2' HD11 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -140.41 154.79 46.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.909 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.483 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 3.5 tp -146.63 138.15 24.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.944 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.519 HD11 ' HD2' ' A' ' 25' ' ' LYS . 4.8 mp -132.92 -177.56 4.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 46.2 m -76.44 -28.64 56.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.158 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.1 m -90.42 -42.54 10.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.845 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -162.74 -175.55 4.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.875 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.572 ' O ' ' CD1' ' A' ' 44' ' ' PHE . . . -149.45 162.87 29.15 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.505 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -105.91 159.99 15.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.837 0.351 . . . . 0.0 110.888 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.786 ' CD1' HD11 ' A' ' 80' ' ' LEU . 25.0 mt -139.18 113.42 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.153 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.41 ' N ' ' O ' ' A' ' 22' ' ' VAL . 2.7 tp60 -79.47 99.94 7.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.486 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 29.0 m -46.7 136.06 8.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.5 m -98.67 6.0 47.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -115.27 -38.05 3.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.486 ' HG2' ' CB ' ' A' ' 35' ' ' CYS . 12.4 ptm180 -105.35 -12.15 16.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 62.72 44.49 6.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.402 ' HB3' ' CD ' ' A' ' 38' ' ' ARG . . . -126.26 140.89 52.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.092 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 23.6 mtm180 -81.44 102.72 10.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.533 HD12 ' CE2' ' A' ' 64' ' ' PHE . 9.5 mt -86.28 170.6 11.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.928 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.5 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -127.45 106.39 9.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.745 ' HB3' HD12 ' A' ' 33' ' ' ILE . 2.4 p90 -101.57 140.78 35.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -93.8 138.57 31.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.2 t -51.42 -17.62 0.82 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.874 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.2 t -78.17 -32.54 50.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 51.9 mm-40 -62.92 -50.07 72.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.433 ' CD2' HD22 ' A' ' 53' ' ' LEU . 17.1 t80 -50.6 130.06 23.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.938 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -78.52 -42.12 30.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.28 -151.86 1.4 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.463 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.432 ' O ' ' C ' ' A' ' 53' ' ' LEU . 12.1 t-20 -112.91 113.78 26.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.862 0.363 . . . . 0.0 110.88 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.433 HD22 ' CD2' ' A' ' 49' ' ' TYR . 1.3 mm? -35.06 -35.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.883 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.429 ' N ' ' O ' ' A' ' 52' ' ' ASN . 30.0 mm-40 -45.46 -49.83 13.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -68.87 -38.95 80.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.784 HD11 HG11 ' A' ' 62' ' ' VAL . 10.8 tp -66.26 150.54 48.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -154.63 174.08 15.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.928 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.525 HG13 ' O ' ' A' ' 23' ' ' ILE . 42.6 t -83.65 105.95 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.109 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 123.16 19.04 2.99 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.487 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -120.9 132.3 54.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.781 0.324 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.04 140.13 57.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.784 HG11 HD11 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -150.06 151.91 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.102 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.538 ' HB3' HG23 ' A' ' 81' ' ' VAL . 8.5 tt0 -107.97 136.51 47.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.763 ' CE1' HG21 ' A' ' 33' ' ' ILE . 21.6 p90 -148.37 176.77 10.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.485 ' O ' HG22 ' A' ' 78' ' ' VAL . 2.7 tt0 -124.17 123.44 40.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 87.6 t -73.33 117.79 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.8 m -127.53 170.22 12.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -103.14 128.69 50.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -65.32 173.47 2.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.871 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -109.99 1.22 18.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 42.9 mmm-85 -120.16 -47.45 2.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 67.3 p -105.1 -14.5 15.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.187 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 60.69 17.39 49.16 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.45 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 45.3 mmtt -85.05 152.53 58.92 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.606 0.717 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.513 ' O ' HD22 ' A' ' 42' ' ' LEU . 53.8 Cg_endo -69.72 97.48 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.714 2.276 . . . . 0.0 112.319 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 8.8 pt -105.71 166.53 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.183 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -94.78 145.06 25.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.158 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.485 HG22 ' O ' ' A' ' 65' ' ' GLU . 30.1 m -144.64 162.96 13.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 35.5 mmtt 44.5 51.38 7.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.912 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.786 HD11 ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -64.57 151.3 44.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.975 179.899 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.607 HG13 ' O ' ' A' ' 80' ' ' LEU . 5.5 m -160.99 117.79 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.14 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.736 ' HA ' HG12 ' A' ' 62' ' ' VAL . 17.4 tttm -56.2 128.65 36.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.7 mt -64.06 -62.14 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.3 t -57.28 171.44 0.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.809 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 147.88 70.89 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.481 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 105.61 1.52 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.654 2.236 . . . . 0.0 112.377 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 78.3 p -84.39 170.24 13.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.877 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 89' ' ' GLY . 7.0 t -111.71 161.91 15.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.833 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 88' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.516 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 t -98.15 148.31 23.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.854 0.359 . . . . 0.0 110.871 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.3 p -100.0 118.4 36.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.865 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.93 114.42 5.0 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.442 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -83.26 41.49 0.77 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.881 0.372 . . . . 0.0 110.833 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.9 m -135.27 169.15 17.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.4 156.63 18.54 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.489 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 166.21 133.07 1.46 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.511 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.515 ' HA ' ' C ' ' A' ' 10' ' ' PRO . 14.2 m-85 -147.35 159.71 41.23 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.673 0.749 . . . . 0.0 110.955 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.515 ' C ' ' HA ' ' A' ' 9' ' ' TYR . 54.5 Cg_endo -69.7 165.92 75.25 Favored 'Cis proline' 0 C--N 1.341 0.162 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.355 -0.148 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -41.61 138.9 1.26 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -154.01 135.04 4.58 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.458 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.6 p -61.59 136.25 57.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.801 0.334 . . . . 0.0 111.153 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.1 t -113.27 44.42 1.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.845 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -96.46 158.35 15.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.117 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.51 ' HB3' ' CD ' ' A' ' 65' ' ' GLU . . . -120.24 171.95 8.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.049 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.692 HD22 ' N ' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -75.48 118.11 17.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.692 ' N ' HD22 ' A' ' 17' ' ' LEU . 32.2 mmm-85 -72.4 127.87 33.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.45 ' HG2' ' CD1' ' A' ' 17' ' ' LEU . 11.3 mt-10 -108.36 154.13 22.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.9 p -124.24 151.92 43.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -155.32 -125.98 0.97 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.41 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.2 p -158.75 133.44 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.817 0.341 . . . . 0.0 111.135 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.973 HD11 HG21 ' A' ' 62' ' ' VAL . 26.0 mm -64.39 91.63 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.115 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.3 tp10 -67.15 -38.58 85.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.453 ' HD3' ' N ' ' A' ' 26' ' ' LEU . 5.0 tmtm? -146.52 153.66 40.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.453 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 2.9 tt -147.99 136.94 21.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.421 ' N ' HD12 ' A' ' 27' ' ' LEU . 3.7 mp -128.98 -177.3 4.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 83.8 m -79.46 -19.3 50.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.176 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.7 t -102.72 -41.81 6.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -158.15 -175.55 5.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.966 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.52 ' HA3' ' CE1' ' A' ' 44' ' ' PHE . . . -154.21 167.23 32.31 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.426 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -113.25 156.41 23.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.805 0.336 . . . . 0.0 110.893 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.79 ' CD1' HD11 ' A' ' 80' ' ' LEU . 33.8 mt -136.63 116.18 16.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.137 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.485 ' NE2' ' HG3' ' A' ' 41' ' ' ARG . 3.9 tp60 -80.46 95.59 6.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.947 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.475 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 74.0 m -42.97 130.24 4.35 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.934 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.6 m -95.19 10.24 36.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -116.99 -36.05 3.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.475 ' HG2' ' CB ' ' A' ' 35' ' ' CYS . 14.2 ptm180 -110.99 -6.62 14.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 59.84 40.59 19.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.425 ' HB3' ' CD ' ' A' ' 38' ' ' ARG . . . -121.26 141.62 50.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.069 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.487 ' HB2' ' CZ ' ' A' ' 41' ' ' ARG . 14.0 mtm105 -82.99 101.91 11.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.617 HD12 ' CE1' ' A' ' 64' ' ' PHE . 8.9 mt -85.21 171.17 12.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.483 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -127.96 108.08 10.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.903 179.92 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.562 ' HB3' HD12 ' A' ' 33' ' ' ILE . 2.5 p90 -103.6 140.92 36.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -96.49 141.81 29.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.4 p -50.99 -20.04 1.23 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.831 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.7 t -74.74 -34.51 62.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -61.92 -49.82 74.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.601 ' HD2' HD22 ' A' ' 53' ' ' LEU . 13.2 t80 -51.96 134.44 31.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -85.37 -38.07 19.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.852 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -74.68 -147.87 1.49 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.49 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 41.5 t-20 -113.97 118.63 34.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.88 0.372 . . . . 0.0 110.927 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.601 HD22 ' HD2' ' A' ' 49' ' ' TYR . 3.2 mm? -47.12 -36.61 8.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -47.88 -40.92 23.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.96 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -76.77 -35.7 57.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.439 HD12 ' HD2' ' A' ' 82' ' ' LYS . 10.1 tp -62.14 144.58 55.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.939 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.3 pttp -150.02 151.39 33.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.749 HG13 ' O ' ' A' ' 23' ' ' ILE . 80.8 t -63.05 129.46 26.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.121 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.77 16.28 26.69 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.481 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -113.16 142.15 46.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.785 0.326 . . . . 0.0 110.868 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.77 135.76 43.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.973 HG21 HD11 ' A' ' 23' ' ' ILE . 1.6 m -146.72 164.92 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.172 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.514 ' HB3' HG23 ' A' ' 81' ' ' VAL . 66.1 tt0 -120.63 135.17 55.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.617 ' CE1' HD12 ' A' ' 42' ' ' LEU . 44.9 p90 -144.48 176.61 9.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.863 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.547 ' O ' HG22 ' A' ' 78' ' ' VAL . 3.8 tt0 -124.72 118.75 27.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.405 HG22 HD11 ' A' ' 42' ' ' LEU . 66.1 t -69.41 116.17 9.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' A' ' 75' ' ' PRO . 2.0 m -126.75 175.81 7.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.0 p -108.25 128.7 54.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.843 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -66.48 165.61 14.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.864 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -103.0 0.73 32.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -119.88 -38.25 2.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 22.2 p -115.93 -12.67 11.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.183 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 59.13 9.2 7.29 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.498 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.2 mmtt -76.37 152.61 83.77 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.582 0.706 . . . . 0.0 110.898 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.512 ' O ' HD22 ' A' ' 42' ' ' LEU . 53.9 Cg_endo -69.78 99.87 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.701 2.267 . . . . 0.0 112.35 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 10.7 pt -110.64 163.37 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.153 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -91.44 146.75 23.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.547 HG22 ' O ' ' A' ' 65' ' ' GLU . 28.0 m -146.08 161.9 10.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.2 mmtt 45.44 51.76 9.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.79 HD11 ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -64.38 156.16 30.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.88 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.664 HG13 ' O ' ' A' ' 80' ' ' LEU . 12.5 m -163.4 119.76 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.149 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.846 ' HA ' HG12 ' A' ' 62' ' ' VAL . 10.6 tttt -59.24 125.65 24.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.4 mt -61.74 -63.79 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.9 m -103.55 164.43 11.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 159.69 135.24 1.81 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.47 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 154.57 67.62 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.741 2.294 . . . . 0.0 112.358 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 51.3 p -134.36 40.86 2.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.839 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 27.3 p -130.62 165.27 23.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.832 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.488 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.2 p -83.33 139.99 32.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.902 0.382 . . . . 0.0 110.85 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 4' ' ' GLY . 77.3 p -133.39 115.07 14.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 3' ' ' SER . . . -37.87 -90.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.46 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.1 p -169.82 125.9 0.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.911 0.386 . . . . 0.0 110.837 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.4 t -131.98 95.77 3.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.86 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.77 -154.13 49.63 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.513 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.547 ' O ' ' CD2' ' A' ' 9' ' ' TYR . . . 142.22 120.54 1.59 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.475 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.554 ' HA ' ' C ' ' A' ' 10' ' ' PRO . 33.1 m-85 -170.05 149.17 3.27 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.626 0.727 . . . . 0.0 110.938 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.554 ' C ' ' HA ' ' A' ' 9' ' ' TYR . 53.1 Cg_endo -69.78 147.33 84.48 Favored 'Cis proline' 0 C--N 1.341 0.141 0 C-N-CA 122.746 -1.773 . . . . 0.0 112.289 0.027 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 63.9 t-20 -94.54 117.19 29.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 123.99 107.16 1.76 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.486 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 69.1 p -141.58 142.32 33.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.763 0.316 . . . . 0.0 111.155 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.8 t -144.13 158.0 43.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.834 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -126.95 162.66 25.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.117 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.669 ' HB1' ' OE1' ' A' ' 65' ' ' GLU . . . -81.98 124.22 29.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.071 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.66 HD13 ' O ' ' A' ' 17' ' ' LEU . 1.3 tm? -102.09 104.43 15.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.1 mmm-85 -72.39 127.39 32.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.527 ' CD ' ' CD1' ' A' ' 17' ' ' LEU . 8.1 mm-40 -104.33 154.18 20.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.931 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.5 p -120.27 145.52 46.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -152.3 -137.66 2.61 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.469 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.5 p -150.52 141.0 16.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.803 0.335 . . . . 0.0 111.093 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.874 HD11 HG21 ' A' ' 62' ' ' VAL . 10.9 mm -71.39 95.01 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.097 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -70.45 -46.94 62.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.844 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.57 ' HD2' HD11 ' A' ' 27' ' ' LEU . 7.2 tmtm? -138.38 154.15 48.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.49 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 3.3 tp -146.88 138.27 24.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.925 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.57 HD11 ' HD2' ' A' ' 25' ' ' LYS . 4.5 mp -131.43 -174.87 3.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.3 m -78.91 -28.41 43.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.2 m -92.14 -40.23 11.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -164.21 -175.14 3.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.902 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.531 ' O ' ' CD1' ' A' ' 44' ' ' PHE . . . -151.4 165.32 30.41 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.49 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -108.16 156.91 18.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.863 0.363 . . . . 0.0 110.854 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.82 ' CD1' HD11 ' A' ' 80' ' ' LEU . 37.7 mt -134.89 114.62 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.422 ' NE2' ' HG3' ' A' ' 41' ' ' ARG . 2.4 tp60 -80.39 93.37 5.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.493 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 68.0 m -43.74 142.1 1.36 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 45.2 m -100.27 -0.54 38.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -108.21 -42.79 4.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.827 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.505 ' O ' ' CG ' ' A' ' 39' ' ' GLN . 9.9 ptm180 -101.75 -0.28 34.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.505 ' CG ' ' O ' ' A' ' 38' ' ' ARG . 11.1 pt20 47.88 43.11 17.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.49 ' HB3' ' NE ' ' A' ' 38' ' ' ARG . . . -123.39 140.51 52.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.422 ' HG3' ' NE2' ' A' ' 34' ' ' GLN . 27.2 mtp180 -79.27 99.81 7.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.567 HD12 ' CE2' ' A' ' 64' ' ' PHE . 8.7 mt -83.09 169.71 15.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.489 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -127.56 108.74 11.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.614 ' HB3' HD12 ' A' ' 33' ' ' ILE . 2.2 p90 -104.26 140.96 37.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -93.81 139.99 30.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.406 ' HA ' HD21 ' A' ' 53' ' ' LEU . 1.4 p -52.26 -16.29 0.8 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.845 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.9 t -80.19 -31.29 38.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.817 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 57.1 mm-40 -62.31 -50.29 72.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.928 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.439 ' HD2' HD22 ' A' ' 53' ' ' LEU . 12.5 t80 -51.6 127.0 19.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -78.5 -34.11 47.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.915 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -76.55 -140.4 1.06 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.527 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' ' 53' ' ' LEU . 1.5 t30 -123.5 111.49 16.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.847 0.356 . . . . 0.0 110.877 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 52' ' ' ASN . 3.8 mm? -34.03 -46.24 0.23 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 52.5 mm-40 -42.05 -49.3 4.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -63.93 -35.07 79.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.839 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.601 HD11 HG11 ' A' ' 62' ' ' VAL . 10.4 tp -71.81 159.7 33.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.965 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.7 pttm -159.16 164.26 35.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.417 HG13 ' O ' ' A' ' 23' ' ' ILE . 38.4 t -75.2 127.69 36.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.201 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.3 20.18 16.42 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.51 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -118.8 151.95 37.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.833 0.349 . . . . 0.0 110.858 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.4 ' O ' HG13 ' A' ' 62' ' ' VAL . 1.1 m-20 -80.04 142.87 34.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.874 HG21 HD11 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -155.17 142.48 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.138 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -99.04 128.94 45.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.71 ' CE1' HG21 ' A' ' 33' ' ' ILE . 14.9 p90 -138.55 176.76 8.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.669 ' OE1' ' HB1' ' A' ' 16' ' ' ALA . 2.2 tt0 -123.47 118.75 28.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.413 HG22 HD11 ' A' ' 42' ' ' LEU . 64.8 t -71.21 122.43 23.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.9 t -131.67 172.69 11.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 72.4 m -105.59 130.96 53.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -67.06 165.56 15.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -104.91 1.36 28.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.1 mmp_? -117.49 -41.54 2.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 63.2 p -115.22 -12.72 11.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.164 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 61.34 15.28 44.72 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.461 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.9 mmtt -81.11 152.92 71.78 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.617 0.723 . . . . 0.0 110.872 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 103.01 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.676 2.251 . . . . 0.0 112.375 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 10.6 pt -115.67 159.37 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.12 145.1 25.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.472 HG22 ' O ' ' A' ' 65' ' ' GLU . 28.1 m -144.87 161.49 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.124 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? 47.77 49.92 16.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.82 HD11 ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -62.65 155.13 27.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.592 HG13 ' O ' ' A' ' 80' ' ' LEU . 0.7 OUTLIER -161.47 128.55 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.098 179.882 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.66 ' HA ' HG12 ' A' ' 62' ' ' VAL . 13.9 tttt -66.68 129.64 40.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.877 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.6 mt -68.24 -59.77 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.16 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.6 t -101.0 136.34 41.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.811 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -165.04 112.49 0.51 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.48 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 159.95 51.46 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.665 2.243 . . . . 0.0 112.301 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 65.4 p -126.48 175.25 8.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.1 t -143.0 116.7 9.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.845 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.453 -179.993 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.0 m -93.5 136.44 33.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.892 0.377 . . . . 0.0 110.873 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.1 m -138.7 115.99 11.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.837 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.1 42.65 1.84 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.466 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.4 t -107.91 90.81 3.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.872 0.368 . . . . 0.0 110.894 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 100.0 p -123.67 115.58 21.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.88 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.7 -96.1 0.19 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.525 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 111.85 128.98 5.26 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.493 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.542 ' HA ' ' C ' ' A' ' 10' ' ' PRO . 4.0 p90 -62.5 151.33 83.5 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.66 0.743 . . . . 0.0 110.911 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 9' ' ' TYR . 53.8 Cg_endo -69.77 143.64 74.42 Favored 'Cis proline' 0 C--N 1.342 0.186 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.341 -0.048 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 -59.59 142.76 52.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.956 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 13' ' ' THR . . . 131.7 -81.24 0.33 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.48 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 12' ' ' GLY . 19.6 m -35.44 139.81 0.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.806 0.336 . . . . 0.0 111.154 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 27.7 p -111.3 -177.73 3.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.848 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -44.54 167.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.074 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.56 160.66 31.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.101 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.795 HD11 ' OE1' ' A' ' 19' ' ' GLU . 1.2 tm? -115.6 127.4 55.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.777 ' N ' HD22 ' A' ' 17' ' ' LEU . 11.9 mmm180 -86.93 131.92 33.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.795 ' OE1' HD11 ' A' ' 17' ' ' LEU . 5.4 mm-40 -111.17 154.22 24.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 24.8 p -124.6 144.61 50.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -148.75 -138.5 3.0 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.514 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.494 ' O ' HG13 ' A' ' 22' ' ' VAL . 6.1 p -152.23 124.88 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.76 0.314 . . . . 0.0 111.113 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.666 HD13 HG12 ' A' ' 33' ' ' ILE . 16.6 mm -56.12 92.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -69.41 -39.93 77.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.442 ' HD2' HD11 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -143.08 154.7 44.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.7 tp -146.1 136.87 24.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.442 HD11 ' HD2' ' A' ' 25' ' ' LYS . 5.0 mp -127.87 -175.87 3.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.921 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.434 HG22 ' O ' ' A' ' 28' ' ' THR . 88.8 m -82.56 -12.92 57.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.4 t -109.44 -37.86 5.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.828 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -161.34 -179.49 7.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.58 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -147.41 158.78 27.83 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.539 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -105.03 146.83 28.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.82 0.343 . . . . 0.0 110.864 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.834 HG21 ' CE1' ' A' ' 64' ' ' PHE . 22.8 mt -126.17 111.82 27.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.422 ' NE2' ' HG3' ' A' ' 41' ' ' ARG . 5.3 tp60 -78.94 101.52 7.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.7 m -48.97 137.51 12.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -103.31 6.16 37.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 -179.706 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -116.79 -42.03 3.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.848 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.487 ' HB2' ' CZ ' ' A' ' 38' ' ' ARG . 0.4 OUTLIER -99.91 -13.53 19.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 -179.912 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 63.92 46.98 3.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -131.66 133.84 45.33 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.422 ' HG3' ' NE2' ' A' ' 34' ' ' GLN . 15.5 mtt180 -74.39 104.87 5.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.605 HD12 ' HE2' ' A' ' 64' ' ' PHE . 8.6 mt -87.44 166.0 15.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.548 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -124.43 107.28 10.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.789 ' HB3' HD12 ' A' ' 33' ' ' ILE . 2.0 p90 -103.5 141.55 35.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -95.76 142.36 28.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 62.8 m -54.03 -14.87 1.17 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 45.1 t -81.48 -31.07 33.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.801 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 48.6 mm-40 -63.74 -49.63 72.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.442 ' CD2' HD22 ' A' ' 53' ' ' LEU . 21.2 t80 -52.0 129.92 28.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -81.28 -40.98 22.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.29 -141.71 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.439 ' O ' ' C ' ' A' ' 53' ' ' LEU . 1.8 p-10 -122.07 109.68 14.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.35 . . . . 0.0 110.905 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.442 HD22 ' CD2' ' A' ' 49' ' ' TYR . 2.7 mm? -34.38 -42.94 0.15 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -42.91 -49.92 5.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -66.63 -36.88 83.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.719 HD11 HG11 ' A' ' 62' ' ' VAL . 10.2 tp -68.58 144.04 54.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.415 ' HD2' ' CG ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -144.02 169.34 18.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.836 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.58 HG13 ' O ' ' A' ' 23' ' ' ILE . 78.2 t -80.61 115.73 23.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.099 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 115.28 15.91 7.45 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.502 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.415 ' CG ' ' HD2' ' A' ' 57' ' ' LYS . 29.6 m-20 -116.73 145.19 43.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.787 0.327 . . . . 0.0 110.881 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.69 141.28 48.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.751 HG12 ' HA ' ' A' ' 82' ' ' LYS . 0.8 OUTLIER -151.96 146.39 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.129 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -102.75 136.17 43.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.834 ' CE1' HG21 ' A' ' 33' ' ' ILE . 4.7 p90 -146.08 176.72 9.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.609 ' O ' HG22 ' A' ' 78' ' ' VAL . 4.6 tt0 -121.62 115.28 22.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.856 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.497 HG22 HD11 ' A' ' 42' ' ' LEU . 48.6 t -69.74 120.57 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.133 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.5 t -128.6 178.62 6.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.852 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -109.97 126.38 53.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -60.35 163.5 5.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.829 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -99.4 0.69 43.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 20.0 mmt-85 -116.37 -58.18 2.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 34.4 p -99.18 -8.82 24.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 58.97 15.83 29.96 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -78.49 152.32 78.24 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.54 0.686 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 102.25 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.671 2.247 . . . . 0.0 112.337 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 8.1 pt -113.4 161.58 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -91.24 143.36 26.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.609 HG22 ' O ' ' A' ' 65' ' ' GLU . 30.6 m -143.7 163.12 15.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.119 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 39.0 mmtt 45.64 49.1 11.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.83 HD11 ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -62.79 151.72 37.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.479 ' O ' HG13 ' A' ' 81' ' ' VAL . 11.2 p -159.75 123.94 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.073 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.751 ' HA ' HG12 ' A' ' 62' ' ' VAL . 13.4 tttt -59.9 129.36 41.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.7 mt -66.34 -62.8 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.111 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.2 t -92.38 118.38 30.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 151.95 92.87 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.458 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 147.63 63.44 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.659 2.239 . . . . 0.0 112.361 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 25.0 t -99.79 96.61 7.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.834 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.3 t -58.92 87.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.831 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.537 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m 47.88 29.02 1.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.912 0.387 . . . . 0.0 110.853 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.0 m -81.98 -48.38 11.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.16 147.83 5.82 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.481 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.8 p -131.37 89.37 2.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.895 0.379 . . . . 0.0 110.873 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.9 t -130.82 131.1 44.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.36 171.37 37.35 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.515 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -115.71 124.6 6.34 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.501 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.521 ' HA ' ' C ' ' A' ' 10' ' ' PRO . 35.2 m-85 -132.7 154.04 81.32 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.638 0.732 . . . . 0.0 110.933 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 9' ' ' TYR . 54.0 Cg_endo -69.77 -176.34 12.48 Favored 'Cis proline' 0 C--N 1.341 0.167 0 C-N-CA 122.643 -1.815 . . . . 0.0 112.37 -0.055 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -132.43 128.56 37.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 161.14 -118.39 0.82 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.518 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 49.2 p -92.42 100.17 12.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.795 0.331 . . . . 0.0 111.122 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 77.9 p -128.19 100.48 5.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -166.33 140.89 4.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.129 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -140.58 126.51 19.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.138 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.842 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -110.7 103.24 11.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.479 ' N ' HD22 ' A' ' 17' ' ' LEU . 32.0 mmm-85 -70.31 129.96 40.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.505 ' CD ' HD11 ' A' ' 17' ' ' LEU . 6.1 mm-40 -105.55 154.9 19.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 18.3 p -125.33 147.84 48.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.121 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -153.93 -135.5 2.12 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.497 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.6 p -151.41 131.81 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.801 0.334 . . . . 0.0 111.124 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.723 ' O ' HG13 ' A' ' 58' ' ' VAL . 5.9 mm -61.2 94.32 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -68.69 -40.7 79.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.468 ' HD3' ' N ' ' A' ' 26' ' ' LEU . 1.8 tmtt? -147.58 153.44 39.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.468 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 3.3 tp -143.19 138.15 29.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.411 ' HG ' ' NZ ' ' A' ' 25' ' ' LYS . 4.3 mp -130.14 -175.79 3.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 48.8 m -79.0 -25.3 43.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -94.65 -41.96 9.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -161.6 -175.27 4.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.602 ' O ' ' CD1' ' A' ' 44' ' ' PHE . . . -149.06 159.65 28.12 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -105.81 148.64 27.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.798 0.332 . . . . 0.0 110.889 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.878 ' CD1' HD11 ' A' ' 80' ' ' LEU . 33.1 mt -128.87 115.43 36.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.134 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.467 ' NE2' ' HG3' ' A' ' 41' ' ' ARG . 8.1 tp60 -80.21 101.49 8.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.49 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 76.3 m -51.18 127.14 18.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.73 9.11 38.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -115.58 -42.49 3.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.496 ' CD ' ' HB3' ' A' ' 40' ' ' ALA . 14.7 ptm180 -102.96 -6.7 22.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 60.01 34.45 21.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.496 ' HB3' ' CD ' ' A' ' 38' ' ' ARG . . . -119.43 132.2 55.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.08 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.467 ' HG3' ' NE2' ' A' ' 34' ' ' GLN . 23.4 mtm180 -74.35 111.26 9.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.646 HD11 HG22 ' A' ' 66' ' ' VAL . 8.2 mt -94.59 166.25 12.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.548 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -124.1 108.3 12.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.668 ' HB3' HD12 ' A' ' 33' ' ' ILE . 2.2 p90 -103.29 141.6 35.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -94.81 140.13 30.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.1 t -52.04 -17.57 1.09 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.7 m -79.8 -29.66 40.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.4 ' CG ' ' HA ' ' A' ' 78' ' ' VAL . 62.7 mm-40 -65.34 -43.77 89.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.912 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.437 ' CD2' HD22 ' A' ' 53' ' ' LEU . 13.0 t80 -54.28 132.15 43.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.958 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 36.1 m-20 -80.86 -38.15 28.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -77.89 -144.98 2.35 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.485 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.426 ' O ' ' C ' ' A' ' 53' ' ' LEU . 11.5 t-20 -117.73 112.67 20.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 110.873 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.437 HD22 ' CD2' ' A' ' 49' ' ' TYR . 1.3 mm? -35.17 -40.42 0.13 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.916 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -43.3 -49.43 6.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.925 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -67.28 -36.57 81.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.611 HD11 HG11 ' A' ' 62' ' ' VAL . 11.3 tp -64.91 154.98 35.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.945 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.2 pttt -159.32 160.29 34.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.723 HG13 ' O ' ' A' ' 23' ' ' ILE . 87.4 t -73.43 123.73 29.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.116 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 105.77 21.05 8.89 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.518 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -123.95 143.01 50.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.833 0.349 . . . . 0.0 110.867 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -69.54 142.72 53.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.866 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.639 HG12 ' HA ' ' A' ' 82' ' ' LYS . 1.0 OUTLIER -154.17 142.31 13.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.11 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.421 ' HB3' HG13 ' A' ' 81' ' ' VAL . 6.8 tt0 -98.63 131.28 44.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.723 ' CE2' HG21 ' A' ' 33' ' ' ILE . 33.9 p90 -142.91 176.7 8.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.474 ' O ' HG22 ' A' ' 78' ' ' VAL . 4.8 tp10 -121.23 124.86 45.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.646 HG22 HD11 ' A' ' 42' ' ' LEU . 80.7 t -79.77 114.85 21.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.139 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.3 t -124.1 172.2 9.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.9 p -102.91 123.55 46.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.86 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -58.07 171.66 0.51 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -110.92 0.39 17.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 19.0 mtt-85 -116.87 -34.64 4.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 18.2 p -123.97 -7.44 7.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.132 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 58.48 13.88 18.46 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.465 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.3 mmtp -79.39 152.23 75.71 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.605 0.717 . . . . 0.0 110.858 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.488 ' O ' HD22 ' A' ' 42' ' ' LEU . 53.4 Cg_endo -69.77 102.96 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.66 2.24 . . . . 0.0 112.332 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 8.9 pt -112.64 158.78 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -88.69 143.31 27.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.075 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.474 HG22 ' O ' ' A' ' 65' ' ' GLU . 27.7 m -144.17 162.22 15.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.142 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.0 mttt 46.61 49.88 13.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.878 HD11 ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -62.88 158.23 19.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.972 179.84 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.421 HG13 ' HB3' ' A' ' 63' ' ' GLU . 1.2 p -165.4 131.53 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.167 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.639 ' HA ' HG12 ' A' ' 62' ' ' VAL . 21.4 tttt -67.46 126.61 29.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.1 mt -66.02 -58.22 7.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.105 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 89.1 p -82.8 129.65 35.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -148.13 83.25 0.18 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.496 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 102.05 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.659 2.239 . . . . 0.0 112.349 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 22.3 t -71.51 145.97 48.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.4 t -119.01 -43.13 2.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.5 -179.972 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.6 m -69.78 89.2 0.56 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.869 0.366 . . . . 0.0 110.869 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 m 60.32 38.34 19.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.27 120.26 2.55 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.484 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 t -108.15 92.36 4.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.871 0.367 . . . . 0.0 110.829 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.1 m -104.34 161.26 14.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.84 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.46 101.76 0.62 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.438 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 150.59 48.53 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.429 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.538 ' HA ' ' C ' ' A' ' 10' ' ' PRO . 23.5 p90 -123.47 153.14 65.74 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.702 0.763 . . . . 0.0 110.894 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 9' ' ' TYR . 54.0 Cg_endo -69.7 135.4 33.53 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.358 -0.118 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -47.04 132.97 11.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -163.89 58.77 0.27 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.458 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 63.8 p 42.54 43.98 3.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.837 0.351 . . . . 0.0 111.166 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 77.4 p -89.63 41.96 1.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.61 161.1 14.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.098 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.12 125.88 28.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.857 HD13 ' O ' ' A' ' 17' ' ' LEU . 1.1 tm? -122.0 99.97 6.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.7 mmm-85 -65.28 119.42 10.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.848 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.512 ' CD ' ' CD1' ' A' ' 17' ' ' LEU . 7.6 mm-40 -96.68 154.11 17.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.683 HG22 ' HG3' ' A' ' 63' ' ' GLU . 31.0 p -127.75 139.71 52.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -151.38 -124.91 1.17 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.509 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.401 HG12 ' HB3' ' A' ' 34' ' ' GLN . 3.6 p -157.11 151.72 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.805 0.336 . . . . 0.0 111.099 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.601 HD13 HG12 ' A' ' 33' ' ' ILE . 15.4 mm -78.86 90.9 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -65.17 -46.62 80.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.499 ' HD2' HD11 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -139.2 153.22 47.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.932 179.898 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.486 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 2.7 tp -146.28 139.47 25.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.943 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.499 HD11 ' HD2' ' A' ' 25' ' ' LYS . 5.1 mp -131.59 -175.54 3.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.946 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 43.7 m -80.34 -19.25 46.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.132 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.5 m -102.14 -38.71 7.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -165.48 -176.52 4.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -150.93 167.11 30.52 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.449 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -113.61 142.14 46.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.815 0.34 . . . . 0.0 110.882 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.904 HG21 ' CE1' ' A' ' 64' ' ' PHE . 22.3 mt -119.54 119.01 59.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.401 ' HB3' HG12 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -78.36 107.51 11.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.485 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 64.9 m -65.6 110.29 2.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.7 m -80.51 8.88 6.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -109.99 -40.7 4.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.571 ' CD ' ' HB3' ' A' ' 40' ' ' ALA . 11.6 ptm180 -105.05 -6.52 19.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 62.61 39.71 11.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.571 ' HB3' ' CD ' ' A' ' 38' ' ' ARG . . . -132.82 139.48 47.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.096 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.497 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 9.3 ptt85 -83.02 112.69 20.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.647 HD12 ' HE2' ' A' ' 64' ' ' PHE . 9.5 mt -90.77 169.99 10.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.563 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -124.1 105.16 9.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 179.917 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.597 ' HB3' HD12 ' A' ' 33' ' ' ILE . 1.9 p90 -101.23 139.84 36.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.9 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -92.45 140.83 29.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 31.2 m -54.29 -14.87 1.3 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.8 p -81.32 -31.39 33.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.9 mm-40 -63.18 -52.01 64.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -51.69 126.32 17.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.959 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 19.3 p-10 -78.95 -41.04 30.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.5 -143.69 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.428 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' ' 53' ' ' LEU . 51.8 t-20 -123.65 112.62 17.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.939 0.399 . . . . 0.0 110.845 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 52' ' ' ASN . 4.0 mm? -34.56 -43.96 0.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.918 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -43.67 -49.07 7.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -66.25 -36.8 83.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.849 HD11 HG11 ' A' ' 62' ' ' VAL . 10.5 tp -68.74 149.04 49.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.963 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.407 ' HE3' ' CG ' ' A' ' 60' ' ' ASP . 7.3 pttp -155.24 163.73 39.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.49 HG13 ' O ' ' A' ' 23' ' ' ILE . 41.6 t -74.94 109.86 8.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.164 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 119.96 17.35 4.61 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.458 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.407 ' CG ' ' HE3' ' A' ' 57' ' ' LYS . 33.4 m-20 -119.39 139.77 51.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.802 0.334 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.415 ' HB3' HD12 ' A' ' 83' ' ' ILE . 40.8 m-20 -68.13 138.39 55.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.849 HG11 HD11 ' A' ' 56' ' ' LEU . 1.7 m -151.21 141.84 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.161 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.683 ' HG3' HG22 ' A' ' 20' ' ' THR . 12.0 tt0 -99.8 139.12 35.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.904 ' CE1' HG21 ' A' ' 33' ' ' ILE . 16.8 p90 -147.13 176.73 9.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.638 ' O ' HG22 ' A' ' 78' ' ' VAL . 2.6 tt0 -122.81 127.56 49.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.437 HG22 HD11 ' A' ' 42' ' ' LEU . 85.4 t -79.74 119.87 29.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.099 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.3 t -125.06 179.21 5.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 26.1 p -118.36 106.66 12.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.827 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -48.54 170.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.873 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.593 ' HE ' ' N ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -110.9 -13.96 14.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 -179.904 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.0 mmt85 -97.93 -41.16 8.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 43.6 p -112.85 -16.88 12.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 61.78 17.55 54.65 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.506 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 51.1 mmtt -88.84 151.76 47.85 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.538 0.685 . . . . 0.0 110.899 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 102.84 1.08 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.655 2.237 . . . . 0.0 112.348 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.0 pt -115.88 166.03 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -89.62 152.25 21.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.102 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.638 HG22 ' O ' ' A' ' 65' ' ' GLU . 17.2 m -150.98 158.0 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.106 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 32.3 mtmt 48.43 50.22 17.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.869 HD11 ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -63.04 151.06 40.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.927 179.917 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.441 HG23 ' HB3' ' A' ' 63' ' ' GLU . 6.5 m -155.25 129.21 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.124 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.714 ' HA ' HG12 ' A' ' 62' ' ' VAL . 19.9 tttt -66.43 119.23 11.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.415 HD12 ' HB3' ' A' ' 61' ' ' ASP . 1.7 mt -57.18 -61.68 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.135 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.0 m -92.32 94.82 9.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 150.24 81.85 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.549 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 117.14 4.91 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.676 2.251 . . . . 0.0 112.353 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.6 t -66.71 137.35 56.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.813 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 60.7 p -132.05 144.14 50.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.865 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.51 -179.961 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.2 t -163.07 129.56 3.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 0.0 110.838 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.4 p -44.37 109.05 0.13 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.872 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.91 62.01 0.33 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.48 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -71.04 82.16 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.867 0.365 . . . . 0.0 110.83 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.8 t -114.5 -39.32 3.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.841 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.83 -111.23 3.98 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.471 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -177.28 53.04 0.1 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.519 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.55 ' HA ' ' C ' ' A' ' 10' ' ' PRO . 51.0 m-85 -151.55 151.48 28.83 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.685 0.755 . . . . 0.0 110.93 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.55 ' C ' ' HA ' ' A' ' 9' ' ' TYR . 53.9 Cg_endo -69.76 136.98 41.46 Favored 'Cis proline' 0 C--N 1.342 0.206 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.369 -0.092 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.47 ' OD1' ' CD2' ' A' ' 9' ' ' TYR . 13.1 m-20 -34.45 131.36 0.33 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -80.89 -138.45 2.23 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.534 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.58 ' O ' HG23 ' A' ' 13' ' ' THR . 11.8 t -158.36 113.52 2.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.84 0.352 . . . . 0.0 111.126 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 51.1 m -103.82 98.31 8.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.45 -8.93 59.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.141 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -111.63 123.11 49.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.532 HD13 ' O ' ' A' ' 17' ' ' LEU . 1.4 tm? -134.99 110.44 9.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.503 ' N ' HD22 ' A' ' 17' ' ' LEU . 37.1 mmm-85 -72.79 123.45 23.37 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.436 ' CD ' ' CD1' ' A' ' 17' ' ' LEU . 7.5 mm-40 -104.43 153.79 20.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.9 p -121.82 147.98 45.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.194 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -155.55 -136.79 2.25 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.0 p -149.97 131.75 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.781 0.324 . . . . 0.0 111.092 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.814 HD13 HG12 ' A' ' 33' ' ' ILE . 20.2 mm -62.69 95.06 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.169 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -69.27 -44.42 71.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.538 ' HD2' HD11 ' A' ' 27' ' ' LEU . 7.4 tmtm? -137.45 154.65 49.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.472 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 3.7 tp -147.89 138.29 22.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.538 HD11 ' HD2' ' A' ' 25' ' ' LYS . 4.7 mp -132.56 -174.81 3.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.9 m -81.09 -22.62 39.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.7 m -97.53 -40.95 8.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.868 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -162.78 178.57 8.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.586 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -145.02 162.4 28.12 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.489 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -108.83 153.05 24.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.77 0.319 . . . . 0.0 110.909 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.814 HG12 HD13 ' A' ' 23' ' ' ILE . 21.5 mt -131.15 114.71 27.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.099 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 35' ' ' CYS . 3.8 tp60 -78.33 89.06 4.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.407 ' C ' ' O ' ' A' ' 34' ' ' GLN . 64.8 m -37.82 132.64 0.91 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.8 m -98.82 3.1 47.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -108.54 -41.18 4.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -103.18 -11.98 17.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 63.95 50.53 2.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -134.14 145.39 49.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.106 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.404 ' HG3' ' NE2' ' A' ' 34' ' ' GLN . 35.2 mtm180 -82.86 100.55 10.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.64 HD12 ' CE2' ' A' ' 64' ' ' PHE . 8.3 mt -84.73 164.94 18.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.556 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -123.26 105.1 9.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.876 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.647 ' HB3' HD12 ' A' ' 33' ' ' ILE . 2.3 p90 -101.25 139.14 37.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -91.95 138.9 31.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.4 p -52.91 -15.97 0.91 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.1 m -80.69 -30.79 36.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 71.3 mm-40 -63.58 -45.66 89.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.438 ' HD2' HD22 ' A' ' 53' ' ' LEU . 16.7 t80 -56.82 128.95 39.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -80.15 -36.98 34.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.86 -139.31 0.25 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.444 ' O ' ' C ' ' A' ' 53' ' ' LEU . 64.0 t30 -127.9 109.83 11.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.872 0.368 . . . . 0.0 110.895 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 52' ' ' ASN . 3.8 mm? -34.1 -40.14 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 10.2 mp0 -42.41 -50.62 5.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -66.93 -36.88 83.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.665 HD11 HG11 ' A' ' 62' ' ' VAL . 11.7 tp -67.89 147.64 52.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.3 pttp -149.38 156.66 42.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.478 ' HA ' HG22 ' A' ' 23' ' ' ILE . 30.8 t -66.77 114.59 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 113.51 15.47 8.83 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.528 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -115.29 138.28 51.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.748 0.309 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.462 ' O ' HG13 ' A' ' 62' ' ' VAL . 3.6 m-20 -66.23 144.05 56.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.868 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.68 HG12 ' HA ' ' A' ' 82' ' ' LYS . 0.7 OUTLIER -157.07 142.29 8.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.113 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.414 ' HB3' HG23 ' A' ' 81' ' ' VAL . 8.7 tt0 -96.76 133.93 40.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.776 ' CE1' HG21 ' A' ' 33' ' ' ILE . 23.6 p90 -143.92 176.65 9.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.864 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.494 ' O ' HG22 ' A' ' 78' ' ' VAL . 5.8 tp10 -123.03 125.63 45.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.431 HG22 HD11 ' A' ' 42' ' ' LEU . 75.0 t -79.16 121.0 31.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.091 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.2 t -130.5 165.97 21.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.831 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 64.4 p -105.31 109.17 21.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.826 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -48.1 175.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.58 ' HE ' ' N ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -114.5 -16.66 11.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.906 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 32.7 mmt180 -95.97 -41.44 8.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 44.2 p -110.69 -20.97 12.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.193 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 67.47 14.95 65.34 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.43 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.2 mmtt -88.12 152.54 50.68 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.592 0.71 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 105.35 1.47 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.651 2.234 . . . . 0.0 112.345 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.6 pt -118.19 159.02 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.116 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -87.15 149.89 24.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.494 HG22 ' O ' ' A' ' 65' ' ' GLU . 23.6 m -148.25 160.54 6.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.137 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.5 mmpt? 47.54 49.44 16.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.777 HD11 ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -61.68 149.26 40.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.916 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 81' ' ' VAL . 34.3 m -154.42 126.93 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.125 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.68 ' HA ' HG12 ' A' ' 62' ' ' VAL . 7.0 tttm -64.7 123.2 18.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.1 mt -63.97 -47.81 88.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.086 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 56.9 p -94.48 118.74 32.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -154.88 87.12 0.13 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.487 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 119.03 6.04 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.703 2.269 . . . . 0.0 112.337 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 89.4 p -95.58 -176.06 3.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.2 m -80.9 179.12 7.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 179.976 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.4 p -98.99 90.26 4.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.876 0.369 . . . . 0.0 110.855 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -43.94 -52.21 7.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.852 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.2 92.73 2.14 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.491 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.9 p -102.11 89.98 3.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.878 0.37 . . . . 0.0 110.873 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -116.43 154.29 30.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.13 56.63 1.57 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.479 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 166.49 -163.43 36.94 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.478 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.538 ' HA ' ' C ' ' A' ' 10' ' ' PRO . 1.8 p90 -60.88 154.17 60.59 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.723 0.773 . . . . 0.0 110.912 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 9' ' ' TYR . 53.8 Cg_endo -69.74 130.83 17.56 Favored 'Cis proline' 0 C--N 1.342 0.188 0 C-N-CA 122.742 -1.774 . . . . 0.0 112.326 -0.029 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.419 ' N ' ' HA ' ' A' ' 9' ' ' TYR . 20.9 t-20 -57.69 98.38 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 11' ' ' ASN . . . 60.16 142.16 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.508 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 14' ' ' SER . 24.7 m -95.1 116.98 29.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.763 0.316 . . . . 0.0 111.144 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 13' ' ' THR . 62.7 m -37.2 104.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -101.02 133.36 45.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.078 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.85 163.22 27.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.075 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.586 HD22 ' C ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -149.58 161.45 42.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.967 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.0 mmm-85 -77.62 120.8 23.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -102.16 154.05 19.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.506 HG22 ' HG3' ' A' ' 63' ' ' GLU . 28.0 p -117.59 141.47 48.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.164 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -149.85 -137.42 2.75 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.456 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.47 ' O ' ' N ' ' A' ' 34' ' ' GLN . 2.9 p -151.17 145.12 16.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.799 0.333 . . . . 0.0 111.11 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.822 HD13 HG12 ' A' ' 33' ' ' ILE . 12.9 mm -77.21 93.61 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.132 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -68.24 -40.51 81.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.466 ' HD3' ' N ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -143.39 155.19 44.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.466 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 4.0 tp -146.97 136.91 23.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.412 ' N ' HD12 ' A' ' 27' ' ' LEU . 4.8 mp -127.87 -174.54 3.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 51.3 m -81.09 -22.51 39.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.104 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.1 m -99.27 -40.27 8.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.848 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -160.08 -175.92 5.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.942 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.498 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -150.3 162.16 29.16 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.48 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -106.81 144.42 33.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.813 0.339 . . . . 0.0 110.92 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.914 ' CD1' HD11 ' A' ' 80' ' ' LEU . 34.4 mt -125.57 110.89 25.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.501 ' NE2' ' HG3' ' A' ' 41' ' ' ARG . 2.8 tp60 -78.5 95.83 5.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.497 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 14.3 m -46.91 138.15 6.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 37.8 m -98.53 -11.28 22.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -96.56 -43.8 7.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.497 ' HG2' ' CB ' ' A' ' 35' ' ' CYS . 16.8 ptp180 -98.59 -12.34 21.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.914 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 58.67 54.06 5.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -137.73 137.2 38.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.088 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.501 ' HG3' ' NE2' ' A' ' 34' ' ' GLN . 16.9 mtm105 -76.24 100.77 5.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.586 HD12 ' CE2' ' A' ' 64' ' ' PHE . 10.5 mt -86.76 164.85 16.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.486 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -121.26 107.99 13.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.641 ' HB3' HD12 ' A' ' 33' ' ' ILE . 1.8 p90 -104.0 141.48 36.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -95.23 141.7 28.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 77.3 m -51.54 -16.84 0.67 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.6 t -80.6 -30.58 36.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.4 mm-40 -62.0 -50.12 73.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.446 ' HD2' HD22 ' A' ' 53' ' ' LEU . 11.0 t80 -56.28 116.53 3.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 61.7 m-20 -81.55 2.48 28.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -102.19 -147.08 19.07 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.488 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -114.34 107.1 15.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.863 0.363 . . . . 0.0 110.894 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.446 HD22 ' HD2' ' A' ' 49' ' ' TYR . 4.1 mm? -39.19 -39.17 0.57 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -50.56 -47.25 57.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -68.81 -30.46 69.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.585 HD11 HG11 ' A' ' 62' ' ' VAL . 10.8 tp -71.85 156.25 39.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.2 ptpp? -163.29 170.31 17.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.95 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.724 HG13 ' O ' ' A' ' 23' ' ' ILE . 97.1 t -82.59 117.77 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.161 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 111.88 19.84 7.11 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.499 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -123.15 128.48 50.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.812 0.339 . . . . 0.0 110.83 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -56.95 140.74 47.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.828 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.705 HG12 ' HA ' ' A' ' 82' ' ' LYS . 1.2 m -152.22 142.31 15.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.158 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.506 ' HG3' HG22 ' A' ' 20' ' ' THR . 12.0 tt0 -99.63 132.78 44.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.885 ' CE1' HG21 ' A' ' 33' ' ' ILE . 18.4 p90 -141.54 176.82 8.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -118.16 119.92 36.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 89.4 t -76.63 118.76 23.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.42 ' O ' ' HA ' ' A' ' 75' ' ' PRO . 1.1 t -131.35 177.27 7.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.865 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.437 ' O ' ' NH2' ' A' ' 70' ' ' ARG . 34.0 p -116.2 121.84 43.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -55.46 178.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.709 ' HE ' ' N ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -104.35 -27.5 11.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.895 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 49.6 mtt-85 -88.76 -59.93 2.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 6.1 p -91.73 -19.27 22.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.185 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 61.85 12.07 33.63 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.498 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.5 mmtt -73.02 153.47 90.83 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.538 0.685 . . . . 0.0 110.889 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.42 ' HA ' ' O ' ' A' ' 67' ' ' SER . 53.8 Cg_endo -69.77 100.27 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.609 2.206 . . . . 0.0 112.375 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 11.1 pt -113.53 162.89 11.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.096 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -95.12 152.66 18.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.081 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 35.3 m -149.72 163.45 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.116 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.6 mmpt? 45.4 48.6 10.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.914 HD11 ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -59.93 151.97 24.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.88 179.911 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.448 HG23 ' HB3' ' A' ' 63' ' ' GLU . 2.1 m -155.41 131.53 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.071 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.705 ' HA ' HG12 ' A' ' 62' ' ' VAL . 25.8 tttt -70.05 122.38 19.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.3 mt -60.18 -52.54 60.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.8 m -113.32 100.63 8.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 163.44 139.4 2.63 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.508 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 120.85 7.58 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.669 2.246 . . . . 0.0 112.375 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 38.5 m -98.62 112.61 24.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.864 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.7 t -116.23 100.5 7.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.839 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.475 179.977 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -86.59 82.98 7.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.872 0.368 . . . . 0.0 110.878 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.5 p -44.91 132.32 6.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.834 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.78 108.47 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.468 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.8 p -98.7 41.57 1.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.857 0.361 . . . . 0.0 110.866 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m -76.55 -45.68 29.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.35 -122.53 5.41 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.466 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 142.73 -159.4 27.29 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.495 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.534 ' HA ' ' C ' ' A' ' 10' ' ' PRO . 49.7 m-85 -149.0 155.8 40.43 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.647 0.737 . . . . 0.0 110.963 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 9' ' ' TYR . 53.3 Cg_endo -69.83 -32.49 3.91 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.341 0.021 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 20.9 m-20 55.22 42.58 30.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 168.79 125.14 0.77 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.47 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.1 m -70.87 135.09 47.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.781 0.324 . . . . 0.0 111.148 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 31.0 m -100.76 87.79 3.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.898 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -103.21 158.61 16.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.083 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.18 172.57 10.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.651 HD22 ' C ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -141.0 166.78 23.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.906 -179.916 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.503 ' N ' HD22 ' A' ' 17' ' ' LEU . 42.5 mmm-85 -85.21 124.5 31.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.615 ' OE2' HG21 ' A' ' 66' ' ' VAL . 8.8 mt-10 -99.02 154.17 18.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 35.0 p -123.36 139.83 53.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.152 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -148.85 -133.87 2.31 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.495 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 34' ' ' GLN . 6.7 p -152.36 141.53 14.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.775 0.321 . . . . 0.0 111.125 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.705 HD13 HG12 ' A' ' 33' ' ' ILE . 10.0 mm -73.55 93.3 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -67.02 -43.97 81.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.708 ' HE3' HD11 ' A' ' 27' ' ' LEU . 0.9 OUTLIER -141.26 157.41 45.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.478 ' N ' ' HD2' ' A' ' 25' ' ' LYS . 3.8 tp -146.81 138.04 24.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.708 HD11 ' HE3' ' A' ' 25' ' ' LYS . 4.5 mp -129.03 -175.69 3.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 45.7 m -81.75 -17.63 47.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.136 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 41.0 m -104.44 -40.67 5.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.837 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -157.53 -174.99 5.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.561 ' HA3' ' CE1' ' A' ' 44' ' ' PHE . . . -150.95 159.42 28.15 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.508 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -106.03 143.98 33.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.859 0.361 . . . . 0.0 110.848 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.827 ' CD1' HD11 ' A' ' 80' ' ' LEU . 33.2 mt -125.73 111.66 27.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.162 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 22' ' ' VAL . 4.8 tp60 -75.88 95.27 3.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.484 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 18.6 m -40.14 145.62 0.15 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.6 m -107.27 -0.82 22.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -110.75 -36.06 5.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.526 ' CD ' ' HB3' ' A' ' 40' ' ' ALA . 14.2 ptm180 -108.83 0.63 20.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.521 ' CG ' ' O ' ' A' ' 38' ' ' ARG . 5.8 pt20 50.23 33.98 8.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.526 ' HB3' ' CD ' ' A' ' 38' ' ' ARG . . . -114.27 143.91 44.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.084 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.433 ' HG3' ' NE2' ' A' ' 34' ' ' GLN . 22.2 mtp180 -81.05 108.56 14.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.615 HD12 ' CE1' ' A' ' 64' ' ' PHE . 8.0 mt -91.19 165.61 13.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.623 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -124.34 108.43 12.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.707 ' HB3' HD12 ' A' ' 33' ' ' ILE . 2.4 p90 -105.53 141.13 37.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.868 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -95.32 139.65 31.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 67.6 m -51.09 -20.96 1.63 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.2 t -75.77 -30.85 59.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 68.3 mm-40 -62.78 -49.47 74.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.492 ' HD2' HD22 ' A' ' 53' ' ' LEU . 10.3 t80 -46.95 142.64 3.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.966 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.3 p-10 -88.74 -43.52 11.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -79.23 -155.19 9.06 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.518 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -100.55 122.57 43.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.896 0.379 . . . . 0.0 110.885 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.492 HD22 ' HD2' ' A' ' 49' ' ' TYR . 3.1 mm? -43.96 -34.42 1.69 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -48.33 -45.48 35.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.947 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -68.7 -37.66 79.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.891 HD11 HG11 ' A' ' 62' ' ' VAL . 10.1 tp -69.68 150.48 46.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.9 ptpp? -152.39 172.92 15.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.493 HG13 ' O ' ' A' ' 23' ' ' ILE . 74.3 t -84.21 125.81 40.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.096 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.0 22.58 10.6 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.495 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -123.53 145.72 48.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.793 0.33 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.46 142.02 51.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.891 HG11 HD11 ' A' ' 56' ' ' LEU . 0.6 OUTLIER -154.2 144.61 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -100.66 134.5 43.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.773 ' CE2' HG21 ' A' ' 33' ' ' ILE . 29.0 p90 -144.92 176.73 9.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.494 ' O ' HG22 ' A' ' 78' ' ' VAL . 1.4 tt0 -119.65 117.88 29.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.615 HG21 ' OE2' ' A' ' 19' ' ' GLU . 94.7 t -71.46 119.1 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.421 ' O ' ' HA ' ' A' ' 75' ' ' PRO . 1.3 t -132.09 179.11 6.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 18.5 m -114.29 127.87 56.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -62.33 170.09 2.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.428 ' N ' ' HD2' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -101.49 -12.52 18.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.831 -179.849 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 34.3 mmt180 -100.13 -60.68 1.48 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 25.9 p -94.31 -19.56 20.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.139 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 68.05 12.89 63.52 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.52 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.8 mmtt -75.78 153.53 85.13 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.582 0.706 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.472 ' O ' HD22 ' A' ' 42' ' ' LEU . 53.1 Cg_endo -69.83 98.19 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.667 2.245 . . . . 0.0 112.296 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 8.3 pt -109.52 164.96 5.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.101 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -96.27 147.38 23.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.494 HG22 ' O ' ' A' ' 65' ' ' GLU . 30.9 m -143.39 168.07 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.9 mmpt? 41.25 52.09 3.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.827 HD11 ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -64.01 151.22 43.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 179.903 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.449 ' O ' HG13 ' A' ' 81' ' ' VAL . 10.0 p -161.09 123.43 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.138 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.647 ' HA ' HG12 ' A' ' 62' ' ' VAL . 13.3 tttm -58.5 131.77 51.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.3 mt -67.85 -53.29 31.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.076 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 26.6 t -111.83 178.8 4.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.839 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 158.53 119.31 0.56 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.471 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 176.43 6.8 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.672 2.248 . . . . 0.0 112.343 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 75.6 m -123.76 128.4 49.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.814 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.5 t -95.39 -63.02 1.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.462 179.994 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.7 m -61.77 171.08 1.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.899 0.381 . . . . 0.0 110.848 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -131.56 41.89 3.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.892 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.45 41.07 98.45 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.485 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -63.99 82.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.866 0.365 . . . . 0.0 110.834 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -119.82 -61.66 1.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 53.91 -144.26 27.5 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.526 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.45 159.14 53.17 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.488 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.542 ' HA ' ' C ' ' A' ' 10' ' ' PRO . 5.8 p90 -156.9 151.6 20.7 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.666 0.746 . . . . 0.0 110.918 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 9' ' ' TYR . 53.6 Cg_endo -69.75 -41.78 0.85 Allowed 'Cis proline' 0 C--N 1.341 0.155 0 C-N-CA 122.741 -1.774 . . . . 0.0 112.339 -0.071 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -129.13 78.36 1.85 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 63.87 -154.57 46.28 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.497 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 67.2 p -80.98 154.23 27.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.821 0.343 . . . . 0.0 111.101 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.6 t -122.71 115.99 23.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -118.73 160.66 21.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.058 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -117.49 173.2 6.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.097 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.866 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -156.43 143.06 18.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.587 ' C ' HD22 ' A' ' 17' ' ' LEU . 26.9 mmm-85 -64.37 121.9 15.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.818 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.563 ' OE1' HD21 ' A' ' 17' ' ' LEU . 5.8 mm-40 -102.54 154.74 18.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.5 p -123.83 144.21 49.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.154 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -149.34 -123.3 1.24 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.498 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.3 p -164.07 133.12 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.764 0.316 . . . . 0.0 111.164 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.867 HD11 HG21 ' A' ' 62' ' ' VAL . 28.4 mm -62.17 95.75 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -72.8 -43.72 62.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.591 ' HD2' HD11 ' A' ' 27' ' ' LEU . 5.9 tmtm? -141.78 150.4 41.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.421 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 2.9 tp -144.36 138.76 28.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.591 HD11 ' HD2' ' A' ' 25' ' ' LYS . 3.9 mp -128.99 -174.77 3.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.93 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 82.9 m -78.61 -24.05 45.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.164 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.9 m -97.69 -41.91 7.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -162.27 -175.69 4.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.902 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.479 ' O ' ' CD1' ' A' ' 44' ' ' PHE . . . -150.96 164.79 30.09 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.499 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -108.79 144.9 36.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.867 0.365 . . . . 0.0 110.867 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.87 ' CD1' HD11 ' A' ' 80' ' ' LEU . 38.4 mt -121.79 117.03 51.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.149 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.09 102.09 10.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.505 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 85.9 m -57.24 126.48 27.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.9 m -89.19 6.01 42.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -109.39 -45.09 3.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.863 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.505 ' HG2' ' CB ' ' A' ' 35' ' ' CYS . 4.4 ptp180 -99.31 -11.4 21.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 62.75 48.78 4.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -135.37 141.19 45.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.533 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 10.9 ptt85 -83.4 102.79 12.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.522 HD12 ' CE2' ' A' ' 64' ' ' PHE . 12.2 mt -83.22 172.54 12.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.487 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -127.4 105.64 8.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.546 ' HB3' HD12 ' A' ' 33' ' ' ILE . 2.2 p90 -102.04 140.38 36.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -93.54 141.54 28.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 33.9 m -53.28 -15.59 1.01 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.3 t -80.1 -32.51 39.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.814 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -62.11 -50.65 71.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.954 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.461 ' HD2' HD22 ' A' ' 53' ' ' LEU . 13.5 t80 -50.96 132.64 27.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.941 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 34.0 m-80 -86.31 -38.98 16.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.46 -141.77 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.475 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.436 ' O ' ' C ' ' A' ' 53' ' ' LEU . 32.8 t-20 -122.02 112.24 18.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.826 0.346 . . . . 0.0 110.898 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.461 HD22 ' HD2' ' A' ' 49' ' ' TYR . 4.0 mm? -34.73 -43.37 0.18 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -45.71 -49.07 15.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -65.1 -37.47 87.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.75 HD11 HG11 ' A' ' 62' ' ' VAL . 9.4 tp -69.94 158.27 35.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.942 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.6 pttt -167.29 171.12 10.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.5 HG13 ' O ' ' A' ' 23' ' ' ILE . 54.6 t -76.45 125.64 36.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.096 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 102.07 19.13 15.45 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.468 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.27 142.26 47.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.831 0.348 . . . . 0.0 110.83 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -76.47 136.33 39.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.869 HG12 ' HA ' ' A' ' 82' ' ' LYS . 1.6 m -147.71 160.77 7.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -116.41 131.66 56.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.842 ' CE1' HG21 ' A' ' 33' ' ' ILE . 18.5 p90 -141.05 176.69 8.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.591 ' O ' HG22 ' A' ' 78' ' ' VAL . 6.4 tt0 -121.9 120.69 35.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 83.3 t -72.17 114.8 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.111 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.2 m -126.11 175.56 7.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -107.73 130.28 54.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.85 -179.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -64.34 168.62 5.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.861 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -103.39 1.35 32.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -119.8 -46.01 2.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 78.4 p -109.53 -8.96 14.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.121 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 55.31 16.97 10.54 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.444 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.2 mmtt -80.94 152.92 72.26 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.565 0.698 . . . . 0.0 110.871 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.47 ' O ' HD22 ' A' ' 42' ' ' LEU . 53.5 Cg_endo -69.81 103.08 1.11 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.665 2.244 . . . . 0.0 112.344 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 10.2 pt -114.53 169.37 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -94.68 143.91 26.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.078 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.591 HG22 ' O ' ' A' ' 65' ' ' GLU . 15.7 m -145.13 160.15 13.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.123 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.7 mtmm 46.29 50.43 12.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.87 HD11 ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -62.35 155.95 23.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 179.919 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.443 ' O ' HG13 ' A' ' 81' ' ' VAL . 6.7 p -164.65 118.81 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.094 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.869 ' HA ' HG12 ' A' ' 62' ' ' VAL . 9.2 tttm -56.93 132.56 53.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.1 mt -66.98 -62.75 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.104 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 50.6 m -95.87 167.22 11.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 139.84 83.41 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.453 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 87' ' ' SER . 54.0 Cg_endo -69.73 116.7 4.68 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.71 2.273 . . . . 0.0 112.324 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 86' ' ' PRO . 98.5 p -36.23 114.58 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 89.1 p -95.35 177.64 5.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.839 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.547 -179.984 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.8 m -116.17 116.24 27.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.883 0.373 . . . . 0.0 110.855 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.2 m -156.18 159.83 39.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.813 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.27 88.29 0.12 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.488 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.3 p -93.94 42.01 1.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.888 0.375 . . . . 0.0 110.889 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.9 p -150.38 169.2 21.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.33 65.81 4.05 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.546 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -174.15 91.62 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.464 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.541 ' HA ' ' C ' ' A' ' 10' ' ' PRO . 2.1 p90 -138.29 153.8 73.28 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.683 0.754 . . . . 0.0 110.888 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 9' ' ' TYR . 53.9 Cg_endo -69.76 132.12 21.32 Favored 'Cis proline' 0 C--N 1.341 0.157 0 C-N-CA 122.67 -1.804 . . . . 0.0 112.312 -0.074 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -46.24 129.65 10.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 64.71 112.43 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.485 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.9 p -94.2 100.17 12.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.76 0.314 . . . . 0.0 111.161 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 18.1 m -147.26 132.43 18.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -110.88 164.64 12.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.055 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -126.73 145.9 50.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.084 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.729 HD13 ' C ' ' A' ' 17' ' ' LEU . 2.0 tm? -92.54 112.2 24.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.406 ' NH2' ' O ' ' A' ' 79' ' ' LYS . 11.8 mmm180 -101.16 126.01 47.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.536 ' CD ' HD11 ' A' ' 17' ' ' LEU . 11.3 mm-40 -101.94 152.52 20.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.674 HG22 ' HG3' ' A' ' 63' ' ' GLU . 31.7 p -124.3 139.35 53.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.16 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -148.3 -134.03 2.38 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.453 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.51 HG12 ' O ' ' A' ' 34' ' ' GLN . 7.8 p -152.34 149.65 13.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.817 0.341 . . . . 0.0 111.14 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.704 HD13 HG12 ' A' ' 33' ' ' ILE . 24.0 mm -79.91 93.69 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -68.71 -46.42 69.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.471 ' HD3' ' N ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -140.28 153.13 46.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.471 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 2.7 tp -143.31 138.19 29.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.9 mp -129.49 -174.51 3.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 63.6 m -78.45 -28.59 46.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.0 m -91.92 -44.73 8.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -158.95 -175.02 5.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.898 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.566 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -148.88 161.53 28.71 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.473 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -103.49 149.08 25.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.899 0.381 . . . . 0.0 110.822 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.838 ' CD1' HD11 ' A' ' 80' ' ' LEU . 26.8 mt -128.43 114.21 33.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.162 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.51 ' O ' HG12 ' A' ' 22' ' ' VAL . 1.8 tp60 -82.07 102.19 10.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.4 m -50.61 146.9 5.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 17.8 m -106.6 -5.98 18.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -104.19 -35.55 7.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -107.59 -15.47 14.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 63.53 42.59 6.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.934 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.61 141.79 50.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.481 ' HG3' ' NE2' ' A' ' 34' ' ' GLN . 12.5 mtm-85 -80.61 99.04 7.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.477 ' CD2' ' O ' ' A' ' 75' ' ' PRO . 9.9 mt -84.72 162.68 19.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.452 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -121.01 111.97 18.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.885 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.764 ' HB3' HD12 ' A' ' 33' ' ' ILE . 1.9 p90 -106.25 139.61 40.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -94.33 143.39 26.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 11.2 p -52.98 -15.77 0.87 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 43.1 t -80.8 -30.75 35.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 47.4 mm-40 -64.11 -49.78 70.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.955 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.451 ' HD2' HD22 ' A' ' 53' ' ' LEU . 8.9 t80 -50.97 121.93 6.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -87.52 11.15 15.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.903 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -117.87 -137.5 5.79 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.5 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 53' ' ' LEU . 5.0 t-20 -125.68 104.57 8.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.915 0.388 . . . . 0.0 110.881 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.451 HD22 ' HD2' ' A' ' 49' ' ' TYR . 4.1 mm? -34.6 -44.03 0.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -45.26 -48.75 12.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -65.2 -37.47 87.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.712 HD11 HG11 ' A' ' 62' ' ' VAL . 9.8 tp -64.52 165.15 10.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.4 ptmt -167.47 161.32 13.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.469 ' HA ' ' CG2' ' A' ' 23' ' ' ILE . 44.1 t -73.7 116.19 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.127 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 109.7 23.36 6.26 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.441 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -123.4 130.9 53.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.834 0.35 . . . . 0.0 110.867 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -59.1 139.57 56.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.712 HG11 HD11 ' A' ' 56' ' ' LEU . 1.2 m -150.72 142.63 16.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.674 ' HG3' HG22 ' A' ' 20' ' ' THR . 37.2 tt0 -99.87 138.8 36.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.697 ' CE1' HG21 ' A' ' 33' ' ' ILE . 9.1 p90 -148.06 176.83 9.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.653 ' O ' HG22 ' A' ' 78' ' ' VAL . 7.1 tt0 -120.83 112.72 19.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.474 ' CG2' ' HG3' ' A' ' 19' ' ' GLU . 90.1 t -69.18 120.79 17.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.408 ' O ' ' HA ' ' A' ' 75' ' ' PRO . 1.0 OUTLIER -132.89 -179.4 5.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 -179.871 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 63.6 m -111.3 133.94 53.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.831 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -70.54 169.7 13.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.821 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -106.39 -3.17 21.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 73.1 mmt-85 -112.5 -40.73 4.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 66.5 p -113.42 -19.99 11.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.084 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 66.7 14.87 63.48 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.525 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.7 mttt -83.03 154.41 67.29 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.58 0.705 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.477 ' O ' ' CD2' ' A' ' 42' ' ' LEU . 53.7 Cg_endo -69.77 99.42 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.674 2.249 . . . . 0.0 112.346 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 11.2 pt -109.56 167.26 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -96.72 146.66 24.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.07 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.653 HG22 ' O ' ' A' ' 65' ' ' GLU . 26.5 m -145.26 159.53 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.406 ' O ' ' NH2' ' A' ' 18' ' ' ARG . 20.7 mttt 46.65 51.43 12.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.838 HD11 ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -64.27 148.06 51.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 81' ' ' VAL . 27.6 m -157.34 121.49 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.177 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.703 ' HA ' HG12 ' A' ' 62' ' ' VAL . 17.4 tttm -58.33 129.91 44.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 7.3 mt -64.4 -54.33 32.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.109 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.8 t -68.45 104.23 1.85 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.828 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 158.97 63.35 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 144.38 53.79 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.683 2.256 . . . . 0.0 112.376 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 42.3 t -88.72 135.9 33.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 84.4 p -61.82 -47.56 84.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.517 179.978 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.6 p -147.38 122.91 10.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.891 0.377 . . . . 0.0 110.868 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.8 t -84.68 87.34 7.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.872 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.91 -165.49 16.48 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.47 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.1 m -159.8 106.63 1.65 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.889 0.376 . . . . 0.0 110.845 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m 57.75 43.78 21.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.9 131.91 52.1 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.501 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 110.59 -130.64 9.95 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.526 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.557 ' HA ' ' C ' ' A' ' 10' ' ' PRO . 7.5 p90 -144.07 151.2 51.58 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.707 0.765 . . . . 0.0 110.921 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.557 ' C ' ' HA ' ' A' ' 9' ' ' TYR . 54.0 Cg_endo -69.77 138.83 51.17 Favored 'Cis proline' 0 C--N 1.342 0.194 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.299 -0.013 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -73.72 110.64 8.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.4 170.87 15.82 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.512 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 74.6 p -92.69 165.0 13.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.793 0.33 . . . . 0.0 111.108 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 78.0 p -57.91 138.47 55.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -152.84 172.6 16.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.117 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.6 136.81 45.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.085 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.633 HD22 ' N ' ' A' ' 18' ' ' ARG . 1.5 tm? -111.74 119.01 37.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.633 ' N ' HD22 ' A' ' 17' ' ' LEU . 22.8 mmm-85 -83.64 127.73 33.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.83 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -105.79 155.03 19.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 26.8 p -117.88 141.08 48.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.158 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -146.4 -138.48 3.19 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.456 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.497 ' O ' HG13 ' A' ' 22' ' ' VAL . 2.0 p -154.52 123.16 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.781 0.325 . . . . 0.0 111.122 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.627 HD13 HG12 ' A' ' 33' ' ' ILE . 4.5 mm -53.33 93.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.09 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -67.15 -39.49 86.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.439 ' HE3' ' CG ' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -145.48 158.17 43.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.437 ' N ' ' HD2' ' A' ' 25' ' ' LYS . 6.2 tp -144.24 133.07 22.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.449 ' N ' HD12 ' A' ' 27' ' ' LEU . 2.8 mp -126.56 -173.63 2.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.53 -27.58 25.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.2 p -95.05 -23.65 17.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -176.53 -175.05 0.62 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.578 ' HA3' ' CE1' ' A' ' 44' ' ' PHE . . . -148.44 160.83 28.49 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.494 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -105.19 154.71 19.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.827 0.346 . . . . 0.0 110.881 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.816 HG21 ' CE1' ' A' ' 64' ' ' PHE . 43.5 mt -137.54 114.54 12.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.421 ' NE2' ' HG3' ' A' ' 41' ' ' ARG . 3.5 tp60 -83.69 103.9 13.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.479 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 58.4 m -51.78 137.48 25.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 56.3 m -98.64 2.27 47.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -110.85 -41.39 4.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.848 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.479 ' HG2' ' CB ' ' A' ' 35' ' ' CYS . 10.2 ptm180 -101.25 -14.16 17.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 63.83 44.77 4.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -127.3 138.88 53.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.084 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.421 ' HG3' ' NE2' ' A' ' 34' ' ' GLN . 15.4 mtp180 -80.85 102.65 10.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.554 HD12 ' CE2' ' A' ' 64' ' ' PHE . 11.4 mt -85.45 172.59 10.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.499 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -128.35 106.25 8.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.714 ' HB3' HD12 ' A' ' 33' ' ' ILE . 2.2 p90 -102.18 138.14 39.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.866 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -89.82 138.89 31.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 4.1 m -50.77 -17.4 0.54 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.8 t -79.13 -31.82 44.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.407 ' CD ' ' HA ' ' A' ' 78' ' ' VAL . 46.9 mm-40 -59.34 -54.53 45.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.419 ' HD2' HD22 ' A' ' 53' ' ' LEU . 21.9 t80 -53.59 121.58 8.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -76.86 -41.04 45.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.69 -145.11 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.474 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 53' ' ' LEU . 48.6 t30 -116.64 110.9 19.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.827 0.346 . . . . 0.0 110.875 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 52' ' ' ASN . 4.1 mm? -35.22 -39.47 0.11 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -47.13 -49.06 22.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -63.11 -37.61 87.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.839 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.854 HD11 HG11 ' A' ' 62' ' ' VAL . 9.1 tp -65.98 147.09 53.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.44 ' HG2' ' C ' ' A' ' 56' ' ' LEU . 9.3 mtmt -148.21 164.71 33.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.422 HG13 ' O ' ' A' ' 23' ' ' ILE . 39.9 t -80.59 99.62 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 130.7 -1.39 5.57 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.464 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -95.11 157.91 15.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.813 0.339 . . . . 0.0 110.823 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.02 138.76 32.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.854 HG11 HD11 ' A' ' 56' ' ' LEU . 0.9 OUTLIER -152.08 142.48 15.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.077 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.464 ' HB3' HG23 ' A' ' 81' ' ' VAL . 9.9 tt0 -99.32 130.44 45.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.864 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.816 ' CE1' HG21 ' A' ' 33' ' ' ILE . 15.7 p90 -138.63 176.76 8.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -122.07 121.92 38.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.5 t -70.67 118.59 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.106 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.433 ' O ' ' HA ' ' A' ' 75' ' ' PRO . 0.3 OUTLIER -122.5 178.09 5.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.875 -179.878 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 28.2 p -126.97 128.22 46.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -65.66 172.21 3.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -107.67 -3.97 18.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.1 mtp180 -109.8 -38.45 5.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 16.6 p -118.08 -15.19 9.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.106 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 60.39 15.85 40.52 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.477 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 35.0 mmtm -77.34 152.3 81.39 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.596 0.712 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.433 ' HA ' ' O ' ' A' ' 67' ' ' SER . 53.9 Cg_endo -69.77 105.58 1.51 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.705 2.27 . . . . 0.0 112.365 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 20.6 pt -115.97 148.86 18.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -84.71 143.13 29.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.055 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.407 ' HA ' ' CD ' ' A' ' 48' ' ' GLN . 30.3 m -145.97 164.7 9.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.118 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 6.3 mmtp 46.83 48.19 15.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.807 HD11 ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -61.9 154.07 27.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.955 179.898 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.514 HG13 ' O ' ' A' ' 80' ' ' LEU . 5.2 m -158.47 126.05 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.762 ' HA ' HG12 ' A' ' 62' ' ' VAL . 25.4 tttp -65.09 124.08 21.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.938 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 5.2 mt -62.29 -48.94 86.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 71.7 p -95.89 152.33 18.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.817 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 136.02 86.39 0.21 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.527 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 162.4 42.19 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.663 2.242 . . . . 0.0 112.391 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 68.7 m -85.78 97.6 10.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.6 m -169.77 128.88 0.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.866 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.449 -179.998 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.4 p -91.57 95.43 9.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.861 0.363 . . . . 0.0 110.835 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.8 p -127.31 159.63 33.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.831 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.22 148.22 11.55 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.476 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.4 p -111.33 43.44 1.49 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.842 0.353 . . . . 0.0 110.855 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.7 t -79.25 166.59 21.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.826 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.79 -168.96 29.79 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.462 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 9' ' ' TYR . . . 141.37 -167.2 25.87 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.454 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.536 ' HA ' ' C ' ' A' ' 10' ' ' PRO . 4.8 p90 -35.98 154.18 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.67 0.748 . . . . 0.0 110.912 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 9' ' ' TYR . 53.8 Cg_endo -69.74 175.71 35.43 Favored 'Cis proline' 0 C--N 1.341 0.132 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.341 -0.069 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -90.29 -54.87 3.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -128.17 171.36 19.37 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.514 HG23 ' N ' ' A' ' 14' ' ' SER . 8.1 t -106.24 -47.55 3.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.811 0.339 . . . . 0.0 111.175 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.514 ' N ' HG23 ' A' ' 13' ' ' THR . 89.0 p -133.82 39.13 3.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -174.95 129.38 0.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.096 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -174.69 144.02 0.81 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.915 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -171.38 141.64 1.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.553 ' N ' HD22 ' A' ' 17' ' ' LEU . 28.2 mmm-85 -75.48 118.39 18.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -95.29 153.75 17.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.502 HG22 ' HG3' ' A' ' 63' ' ' GLU . 30.3 p -126.31 142.93 51.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.139 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -153.46 -131.41 1.59 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.492 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.46 ' CG1' ' HB3' ' A' ' 34' ' ' GLN . 9.4 p -151.79 149.05 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.813 0.339 . . . . 0.0 111.111 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.758 ' O ' HG13 ' A' ' 58' ' ' VAL . 3.4 mm -76.12 95.23 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -68.75 -47.02 67.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.457 ' HD3' ' N ' ' A' ' 26' ' ' LEU . 1.3 tmtt? -143.74 151.66 40.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.457 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 2.5 tp -140.74 138.51 34.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.487 ' N ' HD12 ' A' ' 27' ' ' LEU . 3.9 mp -126.15 -174.57 3.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.9 m -81.82 -18.5 43.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.202 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.7 t -105.33 -39.93 6.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -159.35 -175.41 5.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.951 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.493 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -154.16 161.81 30.23 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.503 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -106.14 147.29 29.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.861 0.363 . . . . 0.0 110.863 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.906 ' CD1' HD11 ' A' ' 80' ' ' LEU . 24.2 mt -125.63 115.52 43.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.112 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.46 ' HB3' ' CG1' ' A' ' 22' ' ' VAL . 1.1 tp60 -73.42 109.41 6.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 72.1 m -64.42 132.18 49.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 68.3 m -96.53 3.78 52.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -107.58 -42.23 4.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.472 ' HB2' ' CZ ' ' A' ' 38' ' ' ARG . 3.3 ptm85 -105.33 -9.32 17.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 62.33 46.56 5.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -133.57 139.85 46.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.09 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.502 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 12.7 ptt85 -79.53 105.28 10.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.602 HD12 ' CE2' ' A' ' 64' ' ' PHE . 10.2 mt -82.55 170.97 14.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.519 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -126.36 103.94 7.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.617 ' HB3' HD12 ' A' ' 33' ' ' ILE . 1.8 p90 -99.43 139.69 34.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -93.77 141.46 28.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.478 ' HA ' HD21 ' A' ' 53' ' ' LEU . 17.3 p -50.08 -19.26 0.7 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 40.0 t -76.66 -33.44 58.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 49.0 mm-40 -61.63 -52.62 63.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.928 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -53.84 126.87 23.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.952 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -77.16 -46.63 22.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -60.66 -141.62 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.546 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -123.58 113.29 18.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.878 0.37 . . . . 0.0 110.848 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.478 HD21 ' HA ' ' A' ' 46' ' ' CYS . 3.4 mm? -39.13 -40.2 0.68 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.8 mm100 -46.62 -46.39 19.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.937 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -69.85 -37.43 76.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' A' ' 56' ' ' LEU . 10.2 tp -58.73 160.28 5.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.4 pttt -164.13 160.43 21.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.758 HG13 ' O ' ' A' ' 23' ' ' ILE . 90.1 t -76.08 128.13 37.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.145 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 105.09 16.7 15.84 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.505 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -121.61 139.33 53.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.834 0.35 . . . . 0.0 110.855 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.08 143.32 55.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.721 HG12 ' HA ' ' A' ' 82' ' ' LYS . 0.7 OUTLIER -152.35 144.24 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.502 ' HG3' HG22 ' A' ' 20' ' ' THR . 6.8 tt0 -101.02 136.97 40.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.861 ' CE1' HG21 ' A' ' 33' ' ' ILE . 14.6 p90 -148.82 176.74 10.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.916 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.664 ' O ' HG22 ' A' ' 78' ' ' VAL . 10.5 tt0 -122.42 121.57 36.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 86.5 t -72.66 124.03 28.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.15 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.9 t -133.54 177.32 7.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.858 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 71.2 m -109.82 132.63 53.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.871 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -68.27 171.59 6.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -108.5 3.26 22.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 73.4 mtm-85 -117.88 -40.73 2.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.925 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 19.9 p -118.01 -15.68 9.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.192 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 65.08 15.83 61.19 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.501 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.1 mmtp -78.11 152.64 79.52 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.578 0.704 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.428 ' O ' HD22 ' A' ' 42' ' ' LEU . 53.9 Cg_endo -69.78 101.12 0.88 Allowed 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.689 2.259 . . . . 0.0 112.33 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 10.0 pt -112.08 167.81 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -94.77 149.84 20.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.075 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.664 HG22 ' O ' ' A' ' 65' ' ' GLU . 27.1 m -149.24 158.48 6.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.159 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.6 mmtt 49.09 47.66 21.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.901 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.906 HD11 ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -61.01 153.49 25.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.917 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.462 ' O ' HG13 ' A' ' 81' ' ' VAL . 9.7 p -160.17 122.83 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.721 ' HA ' HG12 ' A' ' 62' ' ' VAL . 12.4 tttm -62.72 121.74 14.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.9 mt -58.92 -56.94 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.169 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 63.2 m -114.95 132.58 56.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 146.68 84.28 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.466 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 145.92 58.36 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.659 2.239 . . . . 0.0 112.353 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.2 t -86.49 121.18 28.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 84.1 p -155.14 152.39 29.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.498 -179.977 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.5 p -87.54 -46.44 9.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.879 0.371 . . . . 0.0 110.895 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.4 p -97.87 81.5 2.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.841 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.99 -168.56 37.84 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.468 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 m -104.34 95.01 5.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.912 0.387 . . . . 0.0 110.827 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -122.2 135.71 54.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.883 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.87 161.86 0.13 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.523 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 118.02 129.12 4.05 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.491 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.542 ' HA ' ' C ' ' A' ' 10' ' ' PRO . 4.0 m-85 -138.5 151.96 70.13 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.638 0.733 . . . . 0.0 110.901 -179.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 9' ' ' TYR . 53.5 Cg_endo -69.76 147.3 84.37 Favored 'Cis proline' 0 C--N 1.341 0.159 0 C-N-CA 122.738 -1.776 . . . . 0.0 112.315 -0.07 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 46.0 m-20 -56.85 152.55 12.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -70.14 86.3 0.31 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.506 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 90.6 m -114.23 146.28 40.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.793 0.33 . . . . 0.0 111.142 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 43.8 p -100.47 160.72 14.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.843 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -125.98 146.47 49.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.104 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -104.21 129.41 51.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.078 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.624 HD22 ' N ' ' A' ' 18' ' ' ARG . 1.5 tm? -112.47 118.74 36.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.624 ' N ' HD22 ' A' ' 17' ' ' LEU . 31.1 mmm-85 -77.93 122.26 25.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.471 ' CD ' ' CD1' ' A' ' 17' ' ' LEU . 12.1 mm-40 -97.21 151.47 19.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 34.2 p -117.84 141.42 48.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -148.57 -138.96 3.08 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.507 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.407 HG12 ' O ' ' A' ' 34' ' ' GLN . 7.4 p -150.99 139.24 14.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.79 0.329 . . . . 0.0 111.16 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.722 HD11 HG21 ' A' ' 62' ' ' VAL . 14.2 mm -66.23 90.5 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -63.42 -50.13 71.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.433 ' HD3' ' N ' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -142.2 155.42 45.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.943 179.906 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.433 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 2.5 tp -141.81 139.48 32.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.916 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.1 mp -126.81 -174.35 3.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.455 HG22 ' O ' ' A' ' 28' ' ' THR . 38.6 m -82.88 -13.12 56.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.099 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.9 m -111.42 -41.6 4.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -155.32 -175.01 5.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.587 ' O ' ' CD1' ' A' ' 44' ' ' PHE . . . -153.22 160.33 29.08 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.441 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -104.83 155.09 19.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.824 0.345 . . . . 0.0 110.904 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.794 ' CD1' HD11 ' A' ' 80' ' ' LEU . 33.2 mt -133.88 116.03 22.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.163 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.407 ' O ' HG12 ' A' ' 22' ' ' VAL . 5.5 tp60 -82.24 91.7 6.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.491 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 8.5 m -39.09 145.49 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.8 m -101.58 -8.38 21.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -104.63 -40.5 5.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.935 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.494 ' O ' ' NE2' ' A' ' 39' ' ' GLN . 11.2 ptm180 -104.94 6.62 33.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.494 ' NE2' ' O ' ' A' ' 38' ' ' ARG . 1.6 pp0? 37.02 49.29 0.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.942 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.417 ' HB3' ' CD ' ' A' ' 38' ' ' ARG . . . -124.67 135.92 53.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.07 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.9 mtt-85 -74.21 96.47 2.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.622 HD12 ' HE2' ' A' ' 64' ' ' PHE . 8.1 mt -83.2 170.11 15.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.468 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -128.05 111.33 13.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.922 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.711 ' HB3' HD12 ' A' ' 33' ' ' ILE . 2.1 p90 -107.24 141.3 38.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -94.46 141.92 28.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.848 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 12.8 p -53.61 -15.15 1.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.6 t -81.9 -29.18 32.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.818 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 58.4 mm-40 -64.04 -51.05 65.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.426 ' CE2' ' N ' ' A' ' 52' ' ' ASN . 16.3 t80 -53.76 123.43 12.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -76.4 -35.41 58.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.47 -136.73 0.12 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.485 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 53' ' ' LEU . 7.0 t-20 -129.97 110.51 11.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.822 0.344 . . . . 0.0 110.885 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 52' ' ' ASN . 2.6 mm? -34.16 -46.8 0.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 74.1 mm-40 -41.7 -49.26 4.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -65.05 -35.33 80.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.654 HD11 HG11 ' A' ' 62' ' ' VAL . 10.8 tp -69.3 162.24 27.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.1 pttt -162.7 162.85 27.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 25.2 t -74.53 122.31 27.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 104.72 21.71 8.96 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.482 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -121.75 144.84 48.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.826 0.346 . . . . 0.0 110.829 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.467 ' O ' HG13 ' A' ' 62' ' ' VAL . 1.3 m-20 -72.41 144.18 48.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.722 HG21 HD11 ' A' ' 23' ' ' ILE . 0.9 OUTLIER -157.18 142.47 8.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.129 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -97.29 138.21 35.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.653 ' HB3' HD12 ' A' ' 80' ' ' LEU . 4.7 p90 -148.46 176.78 10.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.565 ' O ' HG22 ' A' ' 78' ' ' VAL . 7.6 tp10 -122.66 119.16 29.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 80.3 t -72.56 119.15 18.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.119 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.1 t -131.68 177.78 7.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.6 t -109.86 138.81 45.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -75.97 167.12 22.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.855 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -103.19 -1.27 29.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -113.77 -40.64 3.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 56.4 p -114.66 -17.05 11.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.107 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 63.54 16.27 58.42 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.48 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 34.0 mttt -83.39 154.07 65.9 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.527 0.68 . . . . 0.0 110.934 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 99.33 0.74 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.665 2.243 . . . . 0.0 112.349 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 9.6 pt -110.27 164.75 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -92.48 144.29 25.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.565 HG22 ' O ' ' A' ' 65' ' ' GLU . 16.9 m -145.07 156.1 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.094 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.458 ' HE2' HG23 ' A' ' 78' ' ' VAL . 13.5 mtmm 52.69 50.55 17.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.794 HD11 ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -65.33 149.65 49.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.403 HG13 ' O ' ' A' ' 80' ' ' LEU . 30.0 m -156.79 130.51 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.661 ' HA ' HG12 ' A' ' 62' ' ' VAL . 6.5 tttm -65.44 132.86 50.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.0 mt -73.36 -58.69 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.16 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.5 t -60.06 128.95 39.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -139.29 81.87 0.26 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.465 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 139.23 39.76 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.724 2.283 . . . . 0.0 112.376 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.5 m -70.61 103.12 2.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.861 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.5 t -97.93 95.48 7.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.492 -179.928 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.1 p -123.07 168.12 12.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.926 0.393 . . . . 0.0 110.862 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.4 t -52.73 -46.74 67.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.49 167.1 14.15 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.519 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -92.0 81.9 5.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.861 0.362 . . . . 0.0 110.833 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.7 p -122.23 115.53 22.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.82 -170.21 0.44 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.506 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 114.49 -72.81 0.24 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.508 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.548 ' HA ' ' C ' ' A' ' 10' ' ' PRO . 20.5 p90 -148.79 152.69 37.85 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.721 0.772 . . . . 0.0 110.918 -179.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.548 ' C ' ' HA ' ' A' ' 9' ' ' TYR . 54.2 Cg_endo -69.73 154.07 93.08 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.36 -0.082 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.418 ' OD1' HG23 ' A' ' 13' ' ' THR . 15.1 t-20 -93.5 149.54 21.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -131.34 99.56 0.42 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.52 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.418 HG23 ' OD1' ' A' ' 11' ' ' ASN . 30.2 p -102.82 -61.72 1.37 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.824 0.345 . . . . 0.0 111.146 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 74.7 m -86.24 149.83 24.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.884 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -103.3 -8.95 19.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.126 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.29 122.01 15.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.048 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.669 HD22 ' N ' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -118.47 124.89 48.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.923 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.669 ' N ' HD22 ' A' ' 17' ' ' LEU . 10.7 mmm180 -85.11 133.42 34.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.455 ' HG2' ' CD1' ' A' ' 17' ' ' LEU . 22.0 mt-10 -110.45 152.71 25.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.4 p -123.21 148.53 45.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -151.52 -131.46 1.77 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.459 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.4 p -156.93 130.82 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.787 0.327 . . . . 0.0 111.142 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 1.012 HD11 HG21 ' A' ' 62' ' ' VAL . 27.7 mm -61.19 92.71 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -71.19 -41.01 70.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.482 ' HD3' ' N ' ' A' ' 26' ' ' LEU . 7.3 tmtm? -144.44 152.97 41.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.482 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 3.6 tp -145.84 136.84 24.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.462 ' N ' HD12 ' A' ' 27' ' ' LEU . 2.6 mp -129.57 -174.72 3.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.915 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 92.8 m -77.81 -31.07 51.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.154 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -89.38 -43.81 10.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.872 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -161.97 -178.66 6.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.938 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.515 ' O ' ' CD1' ' A' ' 44' ' ' PHE . . . -144.4 166.12 27.31 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.492 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -109.3 148.92 30.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.819 0.342 . . . . 0.0 110.883 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.83 ' CD1' HD11 ' A' ' 80' ' ' LEU . 37.1 mt -126.59 117.13 47.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.185 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.475 ' NE2' ' HG3' ' A' ' 41' ' ' ARG . 3.7 tp60 -85.76 91.5 8.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.504 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 13.9 m -42.32 145.42 0.39 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.7 m -103.83 -3.95 24.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -106.62 -41.27 5.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.916 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.509 ' O ' ' CG ' ' A' ' 39' ' ' GLN . 14.7 ptp180 -102.06 -2.9 28.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.509 ' CG ' ' O ' ' A' ' 38' ' ' ARG . 15.6 pt20 47.76 43.08 16.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.948 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.65 134.97 54.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.475 ' HG3' ' NE2' ' A' ' 34' ' ' GLN . 34.4 mtm180 -74.29 98.75 3.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.803 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.506 HD12 ' CE1' ' A' ' 64' ' ' PHE . 11.2 mt -85.5 161.77 19.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.495 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -122.19 110.26 15.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.911 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.623 ' HB3' HD12 ' A' ' 33' ' ' ILE . 2.5 p90 -104.82 140.33 38.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -94.13 141.18 28.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.454 ' HA ' HD21 ' A' ' 53' ' ' LEU . 6.6 p -51.66 -19.72 1.7 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 48.2 t -76.08 -33.11 59.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 58.8 mm-40 -61.02 -51.33 69.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.462 ' HD2' HD22 ' A' ' 53' ' ' LEU . 20.3 t80 -53.52 130.09 34.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -79.47 -46.11 18.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -63.35 -139.41 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.485 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' ' 53' ' ' LEU . 4.4 m120 -124.7 110.5 14.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.836 0.351 . . . . 0.0 110.899 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.462 HD22 ' HD2' ' A' ' 49' ' ' TYR . 4.1 mm? -34.25 -38.86 0.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.919 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 19.6 mm100 -45.89 -50.04 14.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -64.3 -37.5 87.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.754 HD11 HG11 ' A' ' 62' ' ' VAL . 10.9 tp -63.98 155.45 30.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.2 pttt -158.27 162.86 37.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.551 HG13 ' O ' ' A' ' 23' ' ' ILE . 52.9 t -75.32 129.13 37.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.12 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.7 19.89 18.68 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -120.14 154.72 34.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.813 0.339 . . . . 0.0 110.857 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -82.45 141.99 32.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.805 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 1.012 HG21 HD11 ' A' ' 23' ' ' ILE . 0.7 OUTLIER -153.67 143.02 14.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -99.59 133.97 43.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.781 ' CE2' HG21 ' A' ' 33' ' ' ILE . 25.5 p90 -143.0 174.49 10.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.67 ' O ' HG22 ' A' ' 78' ' ' VAL . 7.9 tp10 -121.01 119.58 32.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 98.3 t -72.68 126.43 33.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.17 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.1 t -134.14 176.55 8.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.834 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.4 p -114.13 107.86 16.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.868 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.431 ' HA ' ' NH2' ' A' ' 70' ' ' ARG . 28.7 t70 -49.23 168.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.854 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.431 ' NH2' ' HA ' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -105.72 -16.73 14.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.903 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 49.0 mmt-85 -94.89 -52.4 4.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 45.6 p -100.44 -21.52 15.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 66.3 16.68 65.19 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.7 mtmt -87.43 154.59 54.05 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.605 0.717 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.77 101.91 0.97 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.696 2.264 . . . . 0.0 112.316 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.0 pt -115.59 163.38 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.171 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -92.13 146.67 23.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.67 HG22 ' O ' ' A' ' 65' ' ' GLU . 10.4 m -143.06 161.59 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.445 ' O ' ' NH2' ' A' ' 18' ' ' ARG . 12.3 mtmm 46.4 50.06 12.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.859 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.83 HD11 ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -61.05 147.45 43.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.952 179.883 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 81' ' ' VAL . 20.2 m -155.12 120.54 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.165 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.66 ' HA ' HG12 ' A' ' 62' ' ' VAL . 14.3 tttt -59.64 131.35 50.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.5 mt -70.9 -56.31 11.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.137 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 86.5 p -99.43 125.42 45.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -152.26 86.87 0.14 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.521 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 98.78 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.743 2.295 . . . . 0.0 112.373 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.3 t -72.97 140.33 47.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.844 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 53.3 p -54.24 143.07 24.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.832 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.527 -179.943 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.4 t -62.99 89.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.362 . . . . 0.0 110.815 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.0 m 54.99 45.47 26.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.82 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.28 147.83 6.9 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.466 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -99.34 90.94 4.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.883 0.373 . . . . 0.0 110.881 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.6 p -79.33 -53.59 6.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.861 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.26 125.84 5.17 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.516 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 134.72 140.38 4.24 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.524 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.533 ' HA ' ' C ' ' A' ' 10' ' ' PRO . 15.5 p90 -79.85 155.14 75.63 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.651 0.739 . . . . 0.0 110.906 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 9' ' ' TYR . 54.5 Cg_endo -69.71 134.71 30.42 Favored 'Cis proline' 0 C--N 1.341 0.161 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.369 -0.169 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -54.48 -48.08 72.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -175.63 -168.36 35.91 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.481 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 41.8 p -57.51 163.04 2.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.813 0.34 . . . . 0.0 111.099 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 93.8 p -125.61 120.2 30.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.47 139.02 41.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.079 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -39.71 153.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.801 HD22 ' C ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -152.97 155.76 37.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.428 ' N ' HD22 ' A' ' 17' ' ' LEU . 37.9 mmm-85 -78.21 124.07 27.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.618 ' CD ' HD21 ' A' ' 17' ' ' LEU . 18.3 mm-40 -103.38 154.81 19.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 53.5 p -122.68 139.99 53.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.108 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -149.44 -134.71 2.37 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.48 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.513 ' O ' ' N ' ' A' ' 34' ' ' GLN . 9.8 p -152.35 144.31 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.804 0.335 . . . . 0.0 111.123 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.837 HD13 HG12 ' A' ' 33' ' ' ILE . 9.9 mm -74.47 94.08 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.181 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -70.13 -44.08 69.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.606 ' HD2' HD11 ' A' ' 27' ' ' LEU . 8.2 tmtm? -141.29 150.73 42.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.477 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 2.5 tp -144.62 139.84 28.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.939 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.606 HD11 ' HD2' ' A' ' 25' ' ' LYS . 4.7 mp -133.92 -175.69 3.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.2 m -77.22 -28.67 53.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.6 m -91.07 -42.07 10.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.821 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -164.59 -176.56 4.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.936 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.583 ' O ' ' CD1' ' A' ' 44' ' ' PHE . . . -153.04 162.04 29.91 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.531 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -102.54 158.26 16.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.827 0.346 . . . . 0.0 110.887 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.903 HG21 ' CE1' ' A' ' 64' ' ' PHE . 46.2 mt -137.45 107.94 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.072 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.513 ' N ' ' O ' ' A' ' 22' ' ' VAL . 0.3 OUTLIER -71.96 101.5 2.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 179.896 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.501 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 1.1 t -52.34 140.42 21.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 73.4 m -96.04 8.43 43.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -121.4 -40.46 2.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.612 ' CD ' ' HB3' ' A' ' 40' ' ' ALA . 5.9 ptm180 -102.44 -1.87 29.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 46.33 52.08 10.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.612 ' HB3' ' CD ' ' A' ' 38' ' ' ARG . . . -136.09 132.92 36.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.502 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 16.0 ptt85 -73.98 100.35 3.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.863 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.588 HD12 ' CE2' ' A' ' 64' ' ' PHE . 12.6 mt -81.1 167.87 19.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.48 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -120.78 104.61 10.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.583 ' CD1' ' O ' ' A' ' 31' ' ' GLY . 1.9 p90 -103.36 136.5 43.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.88 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -87.71 139.28 30.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 30.6 m -52.9 -15.77 0.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 40.5 t -78.89 -32.59 45.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.9 mm-40 -60.82 -53.09 61.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.926 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.431 ' HD2' HD22 ' A' ' 53' ' ' LEU . 13.9 t80 -50.44 124.78 11.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -78.74 -38.59 38.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.84 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -64.74 -138.56 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.505 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' ' 53' ' ' LEU . 3.6 p-10 -128.32 111.87 13.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.885 0.374 . . . . 0.0 110.886 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 52' ' ' ASN . 4.1 mm? -34.23 -42.78 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -44.52 -49.53 9.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -67.2 -37.27 83.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.818 HD11 HG11 ' A' ' 62' ' ' VAL . 11.0 tp -67.98 149.01 50.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.9 pttt -156.29 164.57 38.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.68 HG13 ' O ' ' A' ' 23' ' ' ILE . 85.4 t -75.23 118.86 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.106 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 110.51 19.83 7.69 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.512 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -122.14 139.76 53.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.783 0.325 . . . . 0.0 110.876 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -67.4 138.6 56.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.818 HG11 HD11 ' A' ' 56' ' ' LEU . 1.6 m -151.85 141.69 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.158 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.442 ' HB3' HG23 ' A' ' 81' ' ' VAL . 6.7 tt0 -98.84 132.24 44.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.903 ' CE1' HG21 ' A' ' 33' ' ' ILE . 20.0 p90 -141.92 176.78 8.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.837 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.437 ' O ' HG22 ' A' ' 78' ' ' VAL . 5.3 tp10 -122.27 127.69 50.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.863 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 90.8 t -80.4 115.9 23.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.13 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.8 m -127.6 178.98 5.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 41.7 p -112.39 135.89 52.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -71.25 168.98 16.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.846 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -99.57 2.5 44.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 32.6 mtp180 -117.16 -49.91 2.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.406 ' OG1' ' CG ' ' A' ' 74' ' ' LYS . 11.6 p -110.56 -12.33 14.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.168 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 60.86 10.68 20.44 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.482 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.406 ' CG ' ' OG1' ' A' ' 72' ' ' THR . 17.9 mmtp -68.09 152.08 96.73 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.574 0.702 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.427 ' O ' HD22 ' A' ' 42' ' ' LEU . 53.4 Cg_endo -69.76 100.21 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.663 2.242 . . . . 0.0 112.357 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 10.9 pt -112.51 165.47 7.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.189 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -92.31 148.55 22.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.437 HG22 ' O ' ' A' ' 65' ' ' GLU . 28.2 m -149.74 157.39 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.122 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.406 ' HE3' HG23 ' A' ' 78' ' ' VAL . 23.3 mtmt 51.36 47.05 25.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.843 HD11 ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -59.7 152.52 22.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.905 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.593 HG13 ' O ' ' A' ' 80' ' ' LEU . 13.5 m -161.35 120.73 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.11 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.665 ' HA ' HG12 ' A' ' 62' ' ' VAL . 22.1 tttt -60.14 128.19 35.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.5 mt -66.08 -52.95 42.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.7 t -142.27 112.91 7.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -170.01 122.23 0.98 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.453 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 159.34 53.77 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.647 2.232 . . . . 0.0 112.347 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 33.0 p -72.5 -48.63 39.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 92.2 p -127.59 161.97 27.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.863 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.512 -179.981 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -39.39 150.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.872 0.368 . . . . 0.0 110.891 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.5 p -109.21 -17.33 13.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.07 115.42 2.32 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.502 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.68 81.85 0.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.905 0.383 . . . . 0.0 110.877 -179.762 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.8 t -50.66 150.84 2.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.814 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.43 102.69 0.24 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.435 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 103.72 -43.63 1.64 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.516 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.507 ' HA ' ' C ' ' A' ' 10' ' ' PRO . 4.6 m-85 -59.09 160.85 10.5 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.675 0.75 . . . . 0.0 110.936 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 9' ' ' TYR . 54.2 Cg_endo -69.71 138.96 51.66 Favored 'Cis proline' 0 C--N 1.341 0.137 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.354 -0.071 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -135.2 115.14 13.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 13' ' ' THR . . . -79.92 49.42 3.71 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.492 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.438 ' C ' ' O ' ' A' ' 12' ' ' GLY . 29.6 p -34.8 -56.38 0.55 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.824 0.345 . . . . 0.0 111.163 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.1 t -81.75 159.63 23.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.66 -8.85 38.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.096 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.53 171.59 0.43 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.104 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.651 HD22 ' N ' ' A' ' 18' ' ' ARG . 1.3 tm? -156.26 118.33 4.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.651 ' N ' HD22 ' A' ' 17' ' ' LEU . 26.7 mmm-85 -72.56 120.54 18.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -103.03 154.35 19.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 39.3 p -120.52 142.49 49.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.161 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -151.05 -136.04 2.44 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.497 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.487 HG12 ' O ' ' A' ' 34' ' ' GLN . 9.9 p -151.47 146.02 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.76 0.314 . . . . 0.0 111.151 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.871 HD13 HG12 ' A' ' 33' ' ' ILE . 13.9 mm -79.0 95.92 2.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -71.38 -46.3 60.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.47 ' HD3' ' N ' ' A' ' 26' ' ' LEU . 0.5 OUTLIER -136.11 154.32 51.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.47 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 4.5 tp -146.13 136.15 23.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.944 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.401 HD12 ' N ' ' A' ' 27' ' ' LEU . 3.6 mp -127.65 -175.48 3.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.5 m -80.31 -25.78 39.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.119 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.0 t -96.0 -37.98 10.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -163.21 -176.32 4.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.556 ' O ' ' CD1' ' A' ' 44' ' ' PHE . . . -150.25 162.74 29.33 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.492 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -106.12 150.24 26.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.779 0.323 . . . . 0.0 110.886 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.872 HG21 ' CE1' ' A' ' 64' ' ' PHE . 30.4 mt -129.82 113.31 26.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.487 ' O ' HG12 ' A' ' 22' ' ' VAL . 7.5 tp60 -77.43 101.74 6.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 6.9 m -53.86 147.51 11.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.4 m -111.07 -4.7 14.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -104.03 -41.8 5.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -100.37 -10.67 20.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 59.47 49.03 9.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -137.18 136.14 37.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.113 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.2 mtm180 -74.21 104.67 5.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.565 HD12 ' HE2' ' A' ' 64' ' ' PHE . 10.3 mt -86.62 160.94 18.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.513 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -118.15 106.6 13.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 179.919 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.747 ' HB3' HD12 ' A' ' 33' ' ' ILE . 2.3 p90 -101.88 140.97 35.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -94.56 139.79 30.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 21.1 m -51.61 -20.95 2.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 40.2 t -75.29 -32.65 61.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.8 mm-40 -60.95 -53.34 58.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.936 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -52.0 120.22 5.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 -74.5 -38.17 62.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -63.81 -142.01 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.477 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.43 ' O ' ' C ' ' A' ' 53' ' ' LEU . 1.3 p-10 -125.2 112.96 17.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.828 0.347 . . . . 0.0 110.921 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' A' ' 52' ' ' ASN . 4.0 mm? -35.87 -38.67 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.957 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -47.78 -48.79 30.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.25 -35.09 75.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.889 HD11 HG11 ' A' ' 62' ' ' VAL . 10.4 tp -69.99 152.94 43.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.438 ' CG ' ' OD2' ' A' ' 60' ' ' ASP . 12.0 ptpt -157.75 176.7 12.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.574 HG13 ' O ' ' A' ' 23' ' ' ILE . 86.8 t -87.97 123.49 40.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.127 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 103.74 21.37 9.76 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.535 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.438 ' OD2' ' CG ' ' A' ' 57' ' ' LYS . 45.1 m-20 -121.7 145.92 47.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.833 0.349 . . . . 0.0 110.829 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.528 ' HB3' HD12 ' A' ' 83' ' ' ILE . 0.9 OUTLIER -71.54 137.27 47.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.889 HG11 HD11 ' A' ' 56' ' ' LEU . 1.6 m -151.34 141.84 15.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.435 ' HB3' HG23 ' A' ' 81' ' ' VAL . 5.9 tt0 -99.97 133.77 43.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.872 ' CE1' HG21 ' A' ' 33' ' ' ILE . 13.7 p90 -141.96 176.74 8.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.716 ' O ' HG22 ' A' ' 78' ' ' VAL . 2.8 tt0 -122.86 119.67 31.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 67.0 t -72.41 119.84 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.108 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' A' ' 75' ' ' PRO . 2.1 m -123.7 176.37 6.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 53.5 p -115.32 108.81 17.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -47.32 173.93 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.582 ' HE ' ' N ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -111.69 -12.88 13.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.941 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.3 mmt85 -98.61 -46.71 5.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 58.4 p -109.51 -16.22 14.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.186 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 64.0 15.79 58.77 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.0 mmtm -82.51 152.6 67.29 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.559 0.695 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.406 ' HA ' ' O ' ' A' ' 67' ' ' SER . 53.9 Cg_endo -69.73 107.89 1.95 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.667 2.245 . . . . 0.0 112.382 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 12.1 pt -119.89 166.34 14.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.198 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.56 150.42 21.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.716 HG22 ' O ' ' A' ' 65' ' ' GLU . 31.6 m -151.69 154.52 8.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 22.5 mttt 52.1 46.07 27.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.807 HD11 ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -57.91 152.28 16.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.939 179.928 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.435 HG23 ' HB3' ' A' ' 63' ' ' GLU . 0.1 OUTLIER -156.87 123.37 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.164 179.866 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.735 ' HA ' HG12 ' A' ' 62' ' ' VAL . 15.5 tttp -63.9 125.99 26.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.528 HD12 ' HB3' ' A' ' 61' ' ' ASP . 3.8 mt -66.14 -51.49 59.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.168 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 87.8 p -99.61 111.51 23.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -165.1 76.49 0.15 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.463 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 176.91 6.17 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.683 2.255 . . . . 0.0 112.32 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 80.6 p -110.85 155.33 22.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 91.4 p -93.53 143.47 26.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.484 -179.994 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.2 t -141.47 171.5 13.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.898 0.38 . . . . 0.0 110.857 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.6 m -66.69 -48.92 67.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.98 59.89 2.86 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.486 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.3 m 47.51 45.2 17.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.914 0.387 . . . . 0.0 110.88 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.3 p -116.57 42.16 2.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.13 164.74 46.34 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.541 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -98.79 109.52 3.81 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.474 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.508 ' HA ' ' C ' ' A' ' 10' ' ' PRO . 1.8 p90 -148.61 158.03 40.61 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.679 0.752 . . . . 0.0 110.923 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.508 ' C ' ' HA ' ' A' ' 9' ' ' TYR . 54.3 Cg_endo -69.71 171.9 51.33 Favored 'Cis proline' 0 C--N 1.342 0.192 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.383 -0.1 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.424 ' C ' ' OD1' ' A' ' 11' ' ' ASN . 17.6 t-20 -85.36 123.34 30.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.955 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 153.65 -155.25 26.04 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.488 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 19.8 m -68.2 123.95 22.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.825 0.345 . . . . 0.0 111.085 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.0 m -133.01 149.75 52.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.83 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.19 -8.85 13.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.079 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -105.56 166.58 10.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.119 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.693 HD13 ' O ' ' A' ' 17' ' ' LEU . 1.3 tm? -164.75 110.22 0.96 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.937 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.467 ' N ' HD22 ' A' ' 17' ' ' LEU . 26.5 mmm-85 -74.74 121.37 21.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.475 ' HG2' ' CD1' ' A' ' 17' ' ' LEU . 12.6 mt-10 -95.55 154.73 17.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 20.9 p -126.11 140.77 52.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -151.42 -130.27 1.64 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.491 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.9 p -153.14 143.33 14.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.782 0.325 . . . . 0.0 111.13 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.559 ' O ' HG13 ' A' ' 58' ' ' VAL . 4.1 mm -68.28 94.98 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.451 ' OE1' ' CB ' ' A' ' 34' ' ' GLN . 15.4 tp10 -68.02 -48.54 65.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -141.19 153.33 45.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.0 tp -143.04 138.5 30.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.983 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.8 mp -126.5 -175.01 3.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 55.9 m -80.63 -16.69 53.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.3 m -106.47 -39.3 5.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -162.39 -178.97 6.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.592 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -148.11 161.44 28.59 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.467 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.445 ' CE2' ' HB2' ' A' ' 43' ' ' PHE . 71.0 m-85 -107.02 146.17 31.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.786 0.327 . . . . 0.0 110.894 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.795 ' CD1' HD11 ' A' ' 80' ' ' LEU . 19.5 mt -123.06 119.77 58.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.123 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.451 ' CB ' ' OE1' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -79.83 103.89 10.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.914 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.495 ' CB ' ' HG2' ' A' ' 38' ' ' ARG . 69.0 m -59.92 116.05 3.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.2 m -80.88 5.96 14.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -108.91 -45.15 3.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.926 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.643 ' HD3' ' HB3' ' A' ' 40' ' ' ALA . 7.2 ptm180 -98.4 -10.52 23.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.902 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 63.12 45.91 4.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.643 ' HB3' ' HD3' ' A' ' 38' ' ' ARG . . . -135.96 143.5 44.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.082 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.508 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 10.2 ptt85 -84.59 104.71 14.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.651 HD12 ' CE1' ' A' ' 64' ' ' PHE . 10.8 mt -83.71 172.15 12.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.544 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -127.02 106.17 9.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.875 179.897 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.592 ' CD2' ' O ' ' A' ' 31' ' ' GLY . 1.8 p90 -101.5 140.41 35.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -94.56 140.98 29.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.829 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.469 ' HA ' HD21 ' A' ' 53' ' ' LEU . 16.2 p -51.99 -19.08 1.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 35.0 t -78.08 -31.31 50.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -62.67 -50.41 71.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.931 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.487 ' HD2' HD22 ' A' ' 53' ' ' LEU . 11.6 t80 -55.1 127.6 29.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.932 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -77.76 -36.29 50.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -73.07 -142.56 0.53 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.46 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -122.21 118.95 29.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.798 0.332 . . . . 0.0 110.908 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.487 HD22 ' HD2' ' A' ' 49' ' ' TYR . 4.0 mm? -44.7 -33.31 1.8 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.936 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -52.53 -41.77 63.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -73.01 -36.11 66.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.644 HD11 HG11 ' A' ' 62' ' ' VAL . 11.2 tp -65.35 163.56 15.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.0 ptmm? -167.34 162.16 14.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.854 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.559 HG13 ' O ' ' A' ' 23' ' ' ILE . 42.9 t -76.51 118.35 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 114.48 16.69 7.47 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.495 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -122.41 147.64 46.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.823 0.344 . . . . 0.0 110.843 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.53 143.85 44.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.652 HG12 ' HA ' ' A' ' 82' ' ' LYS . 0.3 OUTLIER -154.44 142.92 13.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.656 ' HB3' HG23 ' A' ' 81' ' ' VAL . 6.6 tt0 -97.93 137.5 36.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.651 ' CE1' HD12 ' A' ' 42' ' ' LEU . 39.2 p90 -147.9 176.69 9.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.455 ' O ' HG22 ' A' ' 78' ' ' VAL . 7.6 tp10 -123.13 129.01 50.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 84.8 t -80.25 117.55 26.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.168 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.1 t -132.05 176.51 8.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.7 p -109.47 133.46 53.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -67.24 169.36 8.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -102.33 -0.11 33.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.856 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.4 mmm180 -117.65 -40.31 3.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 67.3 p -117.4 -9.84 10.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 54.95 19.76 16.46 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.479 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.2 mmmt -79.1 153.34 77.22 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.563 0.697 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.458 ' O ' HD22 ' A' ' 42' ' ' LEU . 54.2 Cg_endo -69.76 95.91 0.57 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.673 2.248 . . . . 0.0 112.37 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 9.4 pt -110.17 168.61 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -94.25 153.12 18.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' ' 65' ' ' GLU . 27.0 m -152.84 157.89 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.119 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.4 mmpt? 50.76 48.13 23.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.795 HD11 ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -60.7 157.25 15.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.878 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.735 HG13 ' O ' ' A' ' 80' ' ' LEU . 3.4 m -164.85 122.47 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.092 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.652 ' HA ' HG12 ' A' ' 62' ' ' VAL . 25.4 tttt -61.96 124.41 20.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.3 mt -63.8 -51.38 70.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 25.6 t -103.18 109.55 21.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 176.73 71.46 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.5 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 3.51 2.69 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.685 2.257 . . . . 0.0 112.365 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 25.2 m 60.77 44.39 11.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.817 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.0 m -97.54 143.06 28.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.523 179.962 . . . . . . . . 0 0 . 1 stop_ save_